N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide

C16H22N4O — CID 62955966

IUPACN-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
SMILESCCCn1ccnc1CNc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C16H22N4O/c1-4-8-20-9-7-17-16(20)11-18-15-10-14(19-13(3)21)6-5-12(15)2/h5-7,9-10,18H,4,8,11H2,1-3H3,(H,19,21)
InChIKeyMOLIHPUIAXOSPM-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds6

About N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide

N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide (PubChem CID 62955966) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
PubChem CID62955966
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
SMILESCCCn1ccnc1CNc1cc(NC(C)=O)ccc1C
InChIInChI=1S/C16H22N4O/c1-4-8-20-9-7-17-16(20)11-18-15-10-14(19-13(3)21)6-5-12(15)2/h5-7,9-10,18H,4,8,11H2,1-3H3,(H,19,21)
InChIKeyMOLIHPUIAXOSPM-UHFFFAOYSA-N
XLogP3.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
2-methyl-5-nitro-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955785
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712
N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61171799
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
3-[(1-ethylimidazol-2-yl)methylamino]-4-methylbenzonitrile
CID 62352424
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide (CID 62955966) is N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide is CCCn1ccnc1CNc1cc(NC(C)=O)ccc1C.
What is the InChIKey of N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide?
The InChIKey is MOLIHPUIAXOSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-8-20-9-7-17-16(20)11-18-15-10-14(19-13(3)21)6-5-12(15)2/h5-7,9-10,18H,4,8,11H2,1-3H3,(H,19,21).
What are the key properties of N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide?
N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 62955966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).