N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide

C16H21N3O — CID 17454227

IUPACN-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
SMILESCCCCC(=O)NC(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-2-3-9-16(20)19-14(12-15-17-10-11-18-15)13-7-5-4-6-8-13/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,17,18)(H,19,20)
InChIKeyDGEPHNYDBVMULW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.00
Rot. Bonds7

About N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide (PubChem CID 17454227) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
PubChem CID17454227
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide
SMILESCCCCC(=O)NC(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-2-3-9-16(20)19-14(12-15-17-10-11-18-15)13-7-5-4-6-8-13/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,17,18)(H,19,20)
InChIKeyDGEPHNYDBVMULW-UHFFFAOYSA-N
XLogP3.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-imidazol-2-yl)-1-phenylethyl]propanamide
CID 17498145
N-(1,2-diphenylethyl)pentanamide
CID 134014505
2-(3,5-dimethylphenoxy)-N-[(1S)-2-(1H-imidazol-2-yl)-1-phenylethyl]acetamide
CID 25345035
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-2-naphthalen-2-yloxyacetamide
CID 25345693
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 97066738
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-3-methylsulfonylbenzamide
CID 17486679
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
hydroxy-oxo-[2-phenyl-2-(tetradecanoylamino)ethyl]phosphanium
CID 57123775

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide (CID 17454227) is N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide is CCCCC(=O)NC(Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide?
The InChIKey is DGEPHNYDBVMULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-3-9-16(20)19-14(12-15-17-10-11-18-15)13-7-5-4-6-8-13/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide?
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide has a molecular weight of 271.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)-1-phenylethyl]pentanamide is sourced from PubChem (CID 17454227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).