2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide

C15H20N4O — CID 79797789

IUPAC2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C15H20N4O/c1-3-15(2,16)14(20)18-13-6-4-5-12(9-13)10-19-8-7-17-11-19/h4-9,11H,3,10,16H2,1-2H3,(H,18,20)
InChIKeyDSHNKGOEKAZCRL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.00
Rot. Bonds5

About 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide

2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide (PubChem CID 79797789) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
PubChem CID79797789
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C15H20N4O/c1-3-15(2,16)14(20)18-13-6-4-5-12(9-13)10-19-8-7-17-11-19/h4-9,11H,3,10,16H2,1-2H3,(H,18,20)
InChIKeyDSHNKGOEKAZCRL-UHFFFAOYSA-N
XLogP2.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 43696854
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
CID 79796724
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]butanediamide
CID 60846611
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79287273
1-(3-ethylphenyl)-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111064098
(1R)-2,2-dichloro-N-[3-(imidazol-1-ylmethyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 32557435
3-(cyclopropylamino)-N-[3-(imidazol-1-ylmethyl)phenyl]propanamide
CID 60866364
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylmethoxypropanamide
CID 47028953
2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 79804775
4-amino-N-[3-(imidazol-1-ylmethyl)phenyl]cyclopent-2-ene-1-carboxamide
CID 79208915
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide (CID 79797789) is 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide is CCC(C)(N)C(=O)Nc1cccc(Cn2ccnc2)c1.
What is the InChIKey of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide?
The InChIKey is DSHNKGOEKAZCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-15(2,16)14(20)18-13-6-4-5-12(9-13)10-19-8-7-17-11-19/h4-9,11H,3,10,16H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide?
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 79797789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).