N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide

C15H21N5O — CID 63015483

IUPACN-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
SMILESCc1c(N)cccc1NC(=O)CN(C)Cc1nccn1C
InChIInChI=1S/C15H21N5O/c1-11-12(16)5-4-6-13(11)18-15(21)10-19(2)9-14-17-7-8-20(14)3/h4-8H,9-10,16H2,1-3H3,(H,18,21)
InChIKeyGAAVIECSBZTCMR-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.38
Rot. Bonds5

About N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide

N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide (PubChem CID 63015483) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
PubChem CID63015483
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
SMILESCc1c(N)cccc1NC(=O)CN(C)Cc1nccn1C
InChIInChI=1S/C15H21N5O/c1-11-12(16)5-4-6-13(11)18-15(21)10-19(2)9-14-17-7-8-20(14)3/h4-8H,9-10,16H2,1-3H3,(H,18,21)
InChIKeyGAAVIECSBZTCMR-UHFFFAOYSA-N
XLogP1.38
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-fluorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63014778
N-(4-amino-2-chlorophenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 63015664
N-(3-amino-2-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetamide
CID 60890964
N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 61402207
N-(2,3-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474610
2-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]benzene-1,3-diamine
CID 63061895
N-(3-amino-2-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43266827
ethyl 4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-3-oxobutanoate
CID 63896476
3-amino-N-cyclopropyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61108887
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
N-(3-amino-2-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545494
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide (CID 63015483) is N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide is Cc1c(N)cccc1NC(=O)CN(C)Cc1nccn1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
The InChIKey is GAAVIECSBZTCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-12(16)5-4-6-13(11)18-15(21)10-19(2)9-14-17-7-8-20(14)3/h4-8H,9-10,16H2,1-3H3,(H,18,21).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide?
N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide has a molecular weight of 287.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 63015483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).