2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide

C15H20N4O — CID 119896318

IUPAC2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
SMILESCCCCn1ccnc1-c1cccc(NC(=O)CN)c1
InChIInChI=1S/C15H20N4O/c1-2-3-8-19-9-7-17-15(19)12-5-4-6-13(10-12)18-14(20)11-16/h4-7,9-10H,2-3,8,11,16H2,1H3,(H,18,20)
InChIKeyTYCHHQMGBVZTNF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.25
Rot. Bonds6

About 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide

2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide (PubChem CID 119896318) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
PubChem CID119896318
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide
SMILESCCCCn1ccnc1-c1cccc(NC(=O)CN)c1
InChIInChI=1S/C15H20N4O/c1-2-3-8-19-9-7-17-15(19)12-5-4-6-13(10-12)18-14(20)11-16/h4-7,9-10H,2-3,8,11,16H2,1H3,(H,18,20)
InChIKeyTYCHHQMGBVZTNF-UHFFFAOYSA-N
XLogP2.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide;dihydrochloride
CID 119896317
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
CID 119896331
N-[3-(1-propylimidazol-2-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 75427147
3-(1-butylimidazol-2-yl)aniline
CID 60813678
N-[3-(1-butylimidazol-2-yl)phenyl]-4-methylmorpholine-2-carboxamide
CID 75382154
4-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide
CID 119856092
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
3-amino-N-[3-(1-methylimidazol-2-yl)phenyl]butanamide;dihydrochloride
CID 119856083
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
N-[3-(1-methylimidazol-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 60557169
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
4-[[2-(3-acetamidophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82559468

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide (CID 119896318) is 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide is CCCCn1ccnc1-c1cccc(NC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide?
The InChIKey is TYCHHQMGBVZTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-3-8-19-9-7-17-15(19)12-5-4-6-13(10-12)18-14(20)11-16/h4-7,9-10H,2-3,8,11,16H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide?
2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1-butylimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 119896318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).