benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate

C23H35N3O5 — CID 55938691

IUPACbenzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C23H35N3O5/c1-17(2)21(25-23(28)31-15-18-6-4-3-5-7-18)22(27)24-14-20(19-8-11-30-16-19)26-9-12-29-13-10-26/h3-7,17,19-21H,8-16H2,1-2H3,(H,24,27)(H,25,28)/t19?,20?,21-/m0/s1
InChIKeyROHYBERXBMGFPV-CBNMVNINSA-N
MW433.55 g/mol
LogP1.79
Rot. Bonds9

About benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate

benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate (PubChem CID 55938691) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate
PubChem CID55938691
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Namebenzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C23H35N3O5/c1-17(2)21(25-23(28)31-15-18-6-4-3-5-7-18)22(27)24-14-20(19-8-11-30-16-19)26-9-12-29-13-10-26/h3-7,17,19-21H,8-16H2,1-2H3,(H,24,27)(H,25,28)/t19?,20?,21-/m0/s1
InChIKeyROHYBERXBMGFPV-CBNMVNINSA-N
XLogP1.79
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]benzamide
CID 55642245
(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
(2S)-2-(benzenesulfonamido)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]propanamide
CID 55938397
2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309313
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
CID 51149564
(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoic acid;morpholin-4-ylazanide
CID 131718981
benzyl N-[(2S)-3-methyl-1-[8-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]octylamino]-1-oxobutan-2-yl]carbamate
CID 71491089
benzyl N-[(2S)-3-methyl-1-[7-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]heptylamino]-1-oxobutan-2-yl]carbamate
CID 71491088
1-[2-(N-methylanilino)phenyl]-3-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]urea
CID 52500829
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
benzyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22444784

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate (CID 55938691) is benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate?
The InChIKey is ROHYBERXBMGFPV-CBNMVNINSA-N. The full InChI is InChI=1S/C23H35N3O5/c1-17(2)21(25-23(28)31-15-18-6-4-3-5-7-18)22(27)24-14-20(19-8-11-30-16-19)26-9-12-29-13-10-26/h3-7,17,19-21H,8-16H2,1-2H3,(H,24,27)(H,25,28)/t19?,20?,21-/m0/s1.
What are the key properties of benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate?
benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-3-methyl-1-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 55938691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).