N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide

C17H20N4O2 — CID 97147991

IUPACN-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1-c1ccccc1)N[C@H]1CCCCNC1=O
InChIInChI=1S/C17H20N4O2/c22-15(20-14-8-4-5-9-19-17(14)23)12-21-11-10-18-16(21)13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyZVSMLDOXVYPSLP-AWEZNQCLSA-N
MW312.37 g/mol
LogP1.34
Rot. Bonds4

About N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide

N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide (PubChem CID 97147991) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide
PubChem CID97147991
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESO=C(Cn1ccnc1-c1ccccc1)N[C@H]1CCCCNC1=O
InChIInChI=1S/C17H20N4O2/c22-15(20-14-8-4-5-9-19-17(14)23)12-21-11-10-18-16(21)13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyZVSMLDOXVYPSLP-AWEZNQCLSA-N
XLogP1.34
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94083747
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
3-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119949454
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide
CID 84599618
2-[benzyl(methyl)amino]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94162151
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylacetic acid
CID 2813122
2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
2-[2-[(2-oxopiperidin-3-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79331753

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide (CID 97147991) is N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide is O=C(Cn1ccnc1-c1ccccc1)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide?
The InChIKey is ZVSMLDOXVYPSLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15(20-14-8-4-5-9-19-17(14)23)12-21-11-10-18-16(21)13-6-2-1-3-7-13/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H,19,23)(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide?
N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]-2-(2-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 97147991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).