2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide

C15H23N3O — CID 103814364

IUPAC2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
SMILESCC(CNC(=O)Cc1ccc(N)cc1)N(C)C1CC1
InChIInChI=1S/C15H23N3O/c1-11(18(2)14-7-8-14)10-17-15(19)9-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXVRKEKZJPUGJRX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.41
Rot. Bonds6

About 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide

2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide (PubChem CID 103814364) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
PubChem CID103814364
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
SMILESCC(CNC(=O)Cc1ccc(N)cc1)N(C)C1CC1
InChIInChI=1S/C15H23N3O/c1-11(18(2)14-7-8-14)10-17-15(19)9-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXVRKEKZJPUGJRX-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119875581
2-(4-aminophenyl)-N-(2,3-dimethylbutyl)acetamide
CID 64569589
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]pentanamide
CID 106813359
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
2-amino-N-[2-[2-[cyclopropyl(methyl)amino]propylamino]-2-oxoethyl]acetamide
CID 104872590
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]butanamide;dihydrochloride
CID 119875597
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxypentanamide
CID 103895673
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide
CID 107093488

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide (CID 103814364) is 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide is CC(CNC(=O)Cc1ccc(N)cc1)N(C)C1CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide?
The InChIKey is XVRKEKZJPUGJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(18(2)14-7-8-14)10-17-15(19)9-12-3-5-13(16)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide?
2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide is sourced from PubChem (CID 103814364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).