(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide

C18H29N5O2 — CID 75411808

IUPAC(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NCc2nccn2C)CCC[C@@H](C(=O)NC2CC2)CC1=O
InChIInChI=1S/C18H29N5O2/c1-22-9-8-19-16(22)11-20-15-5-3-4-13(10-17(24)23(2)12-15)18(25)21-14-6-7-14/h8-9,13-15,20H,3-7,10-12H2,1-2H3,(H,21,25)/t13-,15-/m1/s1
InChIKeyBVVAFLNQLIMSSY-UKRRQHHQSA-N
MW347.46 g/mol
LogP0.81
Rot. Bonds5

About (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide

(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide (PubChem CID 75411808) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
PubChem CID75411808
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
SMILESCN1C[C@H](NCc2nccn2C)CCC[C@@H](C(=O)NC2CC2)CC1=O
InChIInChI=1S/C18H29N5O2/c1-22-9-8-19-16(22)11-20-15-5-3-4-13(10-17(24)23(2)12-15)18(25)21-14-6-7-14/h8-9,13-15,20H,3-7,10-12H2,1-2H3,(H,21,25)/t13-,15-/m1/s1
InChIKeyBVVAFLNQLIMSSY-UKRRQHHQSA-N
XLogP0.81
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(cyclopropylcarbonyl)-N-[2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72842055
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-4-(4-methylpiperazine-1-carbonyl)azonan-2-one
CID 75411796
(4R,8R)-N,N-diethyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411825
(4R,8R)-N-(2-methoxyethyl)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide
CID 75411836
(4R,8R)-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411882
(1S,11R)-2-(1-methylimidazole-2-carbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201241
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
(2S)-3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
CID 95627590
(2R,3R)-2-cyclopropyl-N-methyl-N-{[1-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]methyl}piperidine-3-carboxamide
CID 138000209
2-Ethyl-N-(3-(1H-imidazol-1-yl)propyl)hexanamide
CID 3023068
N-[(S)-cyclopropyl-(4-fluoro-3-methylcyclohexyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(2-methylimidazol-1-yl)cyclohexane-1-carboxamide
CID 153468950
3-cyclohexyl-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-methylpropanamide
CID 56790564

Frequently Asked Questions

What is the IUPAC name of (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide?
The IUPAC name of (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide (CID 75411808) is (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide.
What is the SMILES notation for (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide?
The canonical SMILES for (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide is CN1C[C@H](NCc2nccn2C)CCC[C@@H](C(=O)NC2CC2)CC1=O.
What is the InChIKey of (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide?
The InChIKey is BVVAFLNQLIMSSY-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22-9-8-19-16(22)11-20-15-5-3-4-13(10-17(24)23(2)12-15)18(25)21-14-6-7-14/h8-9,13-15,20H,3-7,10-12H2,1-2H3,(H,21,25)/t13-,15-/m1/s1.
What are the key properties of (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide?
(4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8R)-N-cyclopropyl-1-methyl-8-[(1-methylimidazol-2-yl)methylamino]-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 75411808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).