benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate

C17H26N2O3 — CID 175450734

IUPACbenzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
SMILESCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-4-10-18-16(20)15(11-13(2)3)19-17(21)22-12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGXVUDLULXUGRSZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.85
Rot. Bonds8

About benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate

benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate (PubChem CID 175450734) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
PubChem CID175450734
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namebenzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
SMILESCCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O3/c1-4-10-18-16(20)15(11-13(2)3)19-17(21)22-12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyGXVUDLULXUGRSZ-UHFFFAOYSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[4-methyl-1-oxo-1-(pentylamino)pentan-2-yl]carbamate
CID 145029981
benzyl N-[(2S)-4-methyl-1-oxo-1-(2-propylhydrazinyl)pentan-2-yl]carbamate
CID 162739110
benzyl N-[(2S)-1-(3-aminopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate;hydrochloride
CID 44512972
benzyl N-[(2S)-1-(3,3-diethoxypropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 59065878
(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 6992475
benzyl N-[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14506335
benzyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 5147892
benzyl N-[(2S)-1-[[(2S)-1-hydrazinyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 14237530
benzyl N-[(2S)-4-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-1-oxopentan-2-yl]carbamate
CID 10502292
methyl (2S)-4-methyl-2-[[(2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoate
CID 7237625
4-methyl-2-[2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoylamino]pentanoic acid
CID 70145371
(3S)-4-[[(2S)-3-carboxy-1-oxo-1-(propylamino)propan-2-yl]amino]-4-oxo-3-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]butanoic acid
CID 102226946

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate (CID 175450734) is benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate is CCCNC(=O)C(CC(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate?
The InChIKey is GXVUDLULXUGRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-10-18-16(20)15(11-13(2)3)19-17(21)22-12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate?
benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 175450734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).