5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide

C9H17N3O2 — CID 60968905

IUPAC5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C9H17N3O2/c1-7(2)11-9(14)12-5-3-8(13)10-4-6-12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyDJPBBJUGLLQEFI-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.07
Rot. Bonds1

About 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide

5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide (PubChem CID 60968905) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide
PubChem CID60968905
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide
SMILESCC(C)NC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C9H17N3O2/c1-7(2)11-9(14)12-5-3-8(13)10-4-6-12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyDJPBBJUGLLQEFI-UHFFFAOYSA-N
XLogP-0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3,3-dimethyl-2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 63004124
2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 63004650
5-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,4-diazepane-1-carboxamide
CID 95977879
(2S)-2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]hexanoic acid
CID 107146054
1-[(2S)-2-aminopropanoyl]-1,4-diazepan-5-one
CID 78919914
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95762713
2-[[(5-oxo-1,4-diazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226302
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95598616
2-[(3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 61181300
N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95306843
3-methyl-3-[(5-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 64699564

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide?
The IUPAC name of 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide (CID 60968905) is 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide?
The canonical SMILES for 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide is CC(C)NC(=O)N1CCNC(=O)CC1.
What is the InChIKey of 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide?
The InChIKey is DJPBBJUGLLQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(2)11-9(14)12-5-3-8(13)10-4-6-12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide?
5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 60968905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).