N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide

C15H26N4O — CID 126446563

IUPACN-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
SMILESCC[C@@H](Cn1ccnc1)NC(=O)N1CCCCCCC1
InChIInChI=1S/C15H26N4O/c1-2-14(12-18-11-8-16-13-18)17-15(20)19-9-6-4-3-5-7-10-19/h8,11,13-14H,2-7,9-10,12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyNYNFTWRSMODNJQ-AWEZNQCLSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds4

About N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide

N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide (PubChem CID 126446563) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
PubChem CID126446563
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide
SMILESCC[C@@H](Cn1ccnc1)NC(=O)N1CCCCCCC1
InChIInChI=1S/C15H26N4O/c1-2-14(12-18-11-8-16-13-18)17-15(20)19-9-6-4-3-5-7-10-19/h8,11,13-14H,2-7,9-10,12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyNYNFTWRSMODNJQ-AWEZNQCLSA-N
XLogP2.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54958720
3-(2-ethylphenoxy)-N-[(2S)-1-imidazol-1-ylbutan-2-yl]azetidine-1-carboxamide
CID 126436612
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 119060884
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
N-(1-imidazol-1-ylbutan-2-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131948618
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 95134502
N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56707272
N-(1-imidazol-1-ylbutan-2-yl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 131931140
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide?
The IUPAC name of N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide (CID 126446563) is N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide is CC[C@@H](Cn1ccnc1)NC(=O)N1CCCCCCC1.
What is the InChIKey of N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide?
The InChIKey is NYNFTWRSMODNJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-14(12-18-11-8-16-13-18)17-15(20)19-9-6-4-3-5-7-10-19/h8,11,13-14H,2-7,9-10,12H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide?
N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-imidazol-1-ylbutan-2-yl]azocane-1-carboxamide is sourced from PubChem (CID 126446563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).