4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide

C18H26N4O — CID 56785420

IUPAC4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
SMILESCc1nccn1CCCC(=O)Nc1cccc(N(C)C(C)C)c1
InChIInChI=1S/C18H26N4O/c1-14(2)21(4)17-8-5-7-16(13-17)20-18(23)9-6-11-22-12-10-19-15(22)3/h5,7-8,10,12-14H,6,9,11H2,1-4H3,(H,20,23)
InChIKeyXEPLWLPJLVUBJQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.46
Rot. Bonds7

About 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide

4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide (PubChem CID 56785420) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
PubChem CID56785420
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
SMILESCc1nccn1CCCC(=O)Nc1cccc(N(C)C(C)C)c1
InChIInChI=1S/C18H26N4O/c1-14(2)21(4)17-8-5-7-16(13-17)20-18(23)9-6-11-22-12-10-19-15(22)3/h5,7-8,10,12-14H,6,9,11H2,1-4H3,(H,20,23)
InChIKeyXEPLWLPJLVUBJQ-UHFFFAOYSA-N
XLogP3.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]heptanamide;dihydrochloride
CID 119883127
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
4-(2-methylimidazol-1-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide
CID 51126229
N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
CID 119883167
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-(1-tert-butylpyrazol-3-yl)-4-(2-methylimidazol-1-yl)butanamide
CID 56783099
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
4-(2-methylimidazol-1-yl)-N-(2,4,5-trimethylpyrazol-3-yl)butanamide
CID 56782546
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(2-methylimidazol-1-yl)acetamide
CID 37225028
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 166241451
3-amino-N-[3-(1-butylimidazol-2-yl)phenyl]propanamide;dihydrochloride
CID 119896331

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide (CID 56785420) is 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide is Cc1nccn1CCCC(=O)Nc1cccc(N(C)C(C)C)c1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide?
The InChIKey is XEPLWLPJLVUBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(2)21(4)17-8-5-7-16(13-17)20-18(23)9-6-11-22-12-10-19-15(22)3/h5,7-8,10,12-14H,6,9,11H2,1-4H3,(H,20,23).
What are the key properties of 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide?
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide has a molecular weight of 314.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide is sourced from PubChem (CID 56785420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).