N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide

C17H23N3O3 — CID 21076597

IUPACN-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NC1CN(C)c2ccccc2N(CC2CC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-11(21)16(22)18-13-10-19(2)14-5-3-4-6-15(14)20(17(13)23)9-12-7-8-12/h3-6,11-13,21H,7-10H2,1-2H3,(H,18,22)
InChIKeySGXDNKCEVKIWHM-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.75
Rot. Bonds4

About N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide

N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide (PubChem CID 21076597) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide
PubChem CID21076597
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide
SMILESCC(O)C(=O)NC1CN(C)c2ccccc2N(CC2CC2)C1=O
InChIInChI=1S/C17H23N3O3/c1-11(21)16(22)18-13-10-19(2)14-5-3-4-6-15(14)20(17(13)23)9-12-7-8-12/h3-6,11-13,21H,7-10H2,1-2H3,(H,18,22)
InChIKeySGXDNKCEVKIWHM-UHFFFAOYSA-N
XLogP0.75
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[[(3S)-5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-1-oxopropan-2-yl] N-(2,2,2-trifluoroethyl)carbamate
CID 11270670
2-(methylamino)-N-[1-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide
CID 122531579
(2S)-2-(methylamino)-N-[(3S)-1-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide
CID 72714293
argon;ethane;1-(5-ethyl-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3-methylurea
CID 159405700
[4-bromo-5-[(2-chlorobenzoyl)amino]-1H-pyrazol-3-yl] N-[(3R)-5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate
CID 69152220
tert-butyl N-[1-methyl-5-[2-(N-methylanilino)-2-oxoethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate
CID 21201913
tert-butyl N-[1-methyl-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate
CID 122531386
3-amino-3-[(2S)-2-aminopropanoyl]-1,5-bis(cyclopropylmethyl)-1,5-benzodiazepine-2,4-dione
CID 69033315
(2R)-3-(2-amino-N-methylanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;bromomethylcyclopropane;tert-butyl N-[(3R)-5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate;tert-butyl N-[(3R)-5-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate
CID 158950060
(E,2S,3R,4S,5R)-N-(1,5-dimethyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide
CID 147422990
(3S)-3-[[2-[(3S)-1-methyl-3-(methylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-5-yl]acetyl]amino]-4-oxobutanoic acid
CID 59947604
(2S)-2-(methylamino)-N-[1-(3-methylbutyl)-5-(naphthalen-1-ylmethyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]propanamide
CID 155198981

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide?
The IUPAC name of N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide (CID 21076597) is N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide.
What is the SMILES notation for N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide?
The canonical SMILES for N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide is CC(O)C(=O)NC1CN(C)c2ccccc2N(CC2CC2)C1=O.
What is the InChIKey of N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide?
The InChIKey is SGXDNKCEVKIWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(21)16(22)18-13-10-19(2)14-5-3-4-6-15(14)20(17(13)23)9-12-7-8-12/h3-6,11-13,21H,7-10H2,1-2H3,(H,18,22).
What are the key properties of N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide?
N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide has a molecular weight of 317.39 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethyl)-1-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]-2-hydroxypropanamide is sourced from PubChem (CID 21076597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).