N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide

C23H27N3O2 — CID 166200337

IUPACN-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide
SMILESCC(CCCc1ccccc1)C(=O)Nc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C23H27N3O2/c1-19(7-5-10-20-8-3-2-4-9-20)23(27)25-21-11-6-12-22(17-21)28-16-15-26-14-13-24-18-26/h2-4,6,8-9,11-14,17-19H,5,7,10,15-16H2,1H3,(H,25,27)
InChIKeyDZSODMPVGLJZCQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.56
Rot. Bonds10

About N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide

N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide (PubChem CID 166200337) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide
PubChem CID166200337
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide
SMILESCC(CCCc1ccccc1)C(=O)Nc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C23H27N3O2/c1-19(7-5-10-20-8-3-2-4-9-20)23(27)25-21-11-6-12-22(17-21)28-16-15-26-14-13-24-18-26/h2-4,6,8-9,11-14,17-19H,5,7,10,15-16H2,1H3,(H,25,27)
InChIKeyDZSODMPVGLJZCQ-UHFFFAOYSA-N
XLogP4.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methoxybenzamide
CID 47045466
N-[3-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylpropanamide
CID 47045489
methyl 2-[2-[[3-(2-imidazol-1-ylethoxy)phenyl]carbamoyl]phenyl]sulfanylpropanoate
CID 167881794
(1R)-2,2-dichloro-N-[3-(2-imidazol-1-ylethoxy)phenyl]-1-methylcyclopropane-1-carboxamide
CID 94613242
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
CID 47028953
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
1-imidazol-1-yl-5-phenylpentan-3-ol
CID 21415241
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
N-[3-(2-imidazol-1-ylethoxy)phenyl]-4-methyl-3-nitrobenzamide
CID 47045463
4-tert-butyl-N-[3-[3-(2-imidazol-1-ylethoxy)anilino]-3-oxopropyl]benzamide
CID 166187077

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide?
The IUPAC name of N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide (CID 166200337) is N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide.
What is the SMILES notation for N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide?
The canonical SMILES for N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide is CC(CCCc1ccccc1)C(=O)Nc1cccc(OCCn2ccnc2)c1.
What is the InChIKey of N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide?
The InChIKey is DZSODMPVGLJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-19(7-5-10-20-8-3-2-4-9-20)23(27)25-21-11-6-12-22(17-21)28-16-15-26-14-13-24-18-26/h2-4,6,8-9,11-14,17-19H,5,7,10,15-16H2,1H3,(H,25,27).
What are the key properties of N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide?
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide has a molecular weight of 377.49 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide is sourced from PubChem (CID 166200337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).