N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide

C15H23N3O — CID 63954898

IUPACN-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(N)c1)CC1CC1
InChIInChI=1S/C15H23N3O/c1-3-18(9-12-5-6-12)10-15(19)17-13-7-4-11(2)14(16)8-13/h4,7-8,12H,3,5-6,9-10,16H2,1-2H3,(H,17,19)
InChIKeyPSWIAJYKAAYBGY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.25
Rot. Bonds6

About N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide

N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide (PubChem CID 63954898) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
PubChem CID63954898
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(N)c1)CC1CC1
InChIInChI=1S/C15H23N3O/c1-3-18(9-12-5-6-12)10-15(19)17-13-7-4-11(2)14(16)8-13/h4,7-8,12H,3,5-6,9-10,16H2,1-2H3,(H,17,19)
InChIKeyPSWIAJYKAAYBGY-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251
N-(3-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376006
N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
N-(3-amino-4-methylphenyl)-2-[2-ethoxyethyl(ethyl)amino]acetamide
CID 63698404
N-(3-amino-4-methylphenyl)-2-[2-cyanoethyl(ethyl)amino]acetamide
CID 54988249
N-(3-amino-4-methylphenyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 43375929
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
N-(3-amino-4-fluorophenyl)-3-[cyclopropylmethyl(ethyl)amino]propanamide
CID 63955514
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
N-(3-amino-4-methylphenyl)-2-cyclohexylacetamide
CID 43209699

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide (CID 63954898) is N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide is CCN(CC(=O)Nc1ccc(C)c(N)c1)CC1CC1.
What is the InChIKey of N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
The InChIKey is PSWIAJYKAAYBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-18(9-12-5-6-12)10-15(19)17-13-7-4-11(2)14(16)8-13/h4,7-8,12H,3,5-6,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide?
N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide is sourced from PubChem (CID 63954898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).