N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide

C15H20N4O — CID 62956453

IUPACN-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
SMILESCCCn1ccnc1CNc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N4O/c1-3-9-19-10-8-16-15(19)11-17-13-4-6-14(7-5-13)18-12(2)20/h4-8,10,17H,3,9,11H2,1-2H3,(H,18,20)
InChIKeyYAMBTFPFLMCNQI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.86
Rot. Bonds6

About N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide

N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide (PubChem CID 62956453) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
PubChem CID62956453
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
SMILESCCCn1ccnc1CNc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N4O/c1-3-9-19-10-8-16-15(19)11-17-13-4-6-14(7-5-13)18-12(2)20/h4-8,10,17H,3,9,11H2,1-2H3,(H,18,20)
InChIKeyYAMBTFPFLMCNQI-UHFFFAOYSA-N
XLogP2.86
TPSA58.95 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 ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62955966
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
CID 62349759
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide
CID 114167139
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide (CID 62956453) is N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide is CCCn1ccnc1CNc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide?
The InChIKey is YAMBTFPFLMCNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-9-19-10-8-16-15(19)11-17-13-4-6-14(7-5-13)18-12(2)20/h4-8,10,17H,3,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide?
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 62956453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).