benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C37H40N4O6 — CID 18517770

IUPACbenzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)N2CCCc3ccccc32)co1
InChIInChI=1S/C37H40N4O6/c1-25(2)22-30(40-37(45)47-23-27-14-7-4-8-15-27)34(43)38-29(20-19-26-12-5-3-6-13-26)33(42)35-39-31(24-46-35)36(44)41-21-11-17-28-16-9-10-18-32(28)41/h3-10,12-16,18,24-25,29-30H,11,17,19-23H2,1-2H3,(H,38,43)(H,40,45)
InChIKeyCWVXINNDQPUIEJ-UHFFFAOYSA-N
MW636.75 g/mol
LogP5.91
Rot. Bonds13

About benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 18517770) has the molecular formula C37H40N4O6 and a molecular weight of 636.75 g/mol. Its IUPAC name is benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
PubChem CID18517770
Molecular FormulaC37H40N4O6
Molecular Weight636.75 g/mol
Exact Mass636.29
IUPAC Namebenzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
SMILESCC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)N2CCCc3ccccc32)co1
InChIInChI=1S/C37H40N4O6/c1-25(2)22-30(40-37(45)47-23-27-14-7-4-8-15-27)34(43)38-29(20-19-26-12-5-3-6-13-26)33(42)35-39-31(24-46-35)36(44)41-21-11-17-28-16-9-10-18-32(28)41/h3-10,12-16,18,24-25,29-30H,11,17,19-23H2,1-2H3,(H,38,43)(H,40,45)
InChIKeyCWVXINNDQPUIEJ-UHFFFAOYSA-N
XLogP5.91
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

benzyl N-[(2S)-4-methyl-1-[[(2S)-1-[4-(2-methylpropyl)-5-oxo-1,3,4-oxadiazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 58760371
benzyl N-[(2S)-4-methyl-1-[[5-methyl-2-oxo-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 23531837
methyl 2-[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-phenylbutanoyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 57303761
methyl 2-[(2S)-1-hydroxy-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-phenylbutyl]-1,3-oxazole-4-carboxylate
CID 59070128
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
(2S)-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanedioic acid
CID 102001257
benzyl N-[(2S)-1-[[(2S)-1-[[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 67703494
benzyl N-(4-methyl-1-oxopentan-2-yl)carbamate;3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 159795655
benzyl N-[(2S)-4-methyl-1-[[(3S)-5-methyl-2-oxo-1-(1-propan-2-yl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)hexan-3-yl]amino]-1-oxopentan-2-yl]carbamate
CID 10303270
methyl (2S)-2-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(2-oxopyrrolidin-1-yl)propanoate
CID 10721962
benzyl N-[(2S)-1-[[(2S)-1-[[(E,4S)-1-(2,3-dihydroindol-1-yl)-1,7-dioxo-7-(tritylamino)hept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10819586
benzyl N-[(2S)-1-[[(2S)-1-(4-ethyl-5-oxo-1,3,4-oxadiazol-2-yl)-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10183941

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 18517770) is benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(=O)c1nc(C(=O)N2CCCc3ccccc32)co1.
What is the InChIKey of benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is CWVXINNDQPUIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O6/c1-25(2)22-30(40-37(45)47-23-27-14-7-4-8-15-27)34(43)38-29(20-19-26-12-5-3-6-13-26)33(42)35-39-31(24-46-35)36(44)41-21-11-17-28-16-9-10-18-32(28)41/h3-10,12-16,18,24-25,29-30H,11,17,19-23H2,1-2H3,(H,38,43)(H,40,45).
What are the key properties of benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 636.75 g/mol, XLogP of 5.91, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[[1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-oxazol-2-yl]-1-oxo-4-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 18517770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).