N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide

C14H20N2O — CID 63229908

IUPACN-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
SMILESCCCN(C(=O)CC1CC1)c1cccc(N)c1
InChIInChI=1S/C14H20N2O/c1-2-8-16(14(17)9-11-6-7-11)13-5-3-4-12(15)10-13/h3-5,10-11H,2,6-9,15H2,1H3
InChIKeyHYAHVNQOHIADEP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.81
Rot. Bonds5

About N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide

N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide (PubChem CID 63229908) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
PubChem CID63229908
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
SMILESCCCN(C(=O)CC1CC1)c1cccc(N)c1
InChIInChI=1S/C14H20N2O/c1-2-8-16(14(17)9-11-6-7-11)13-5-3-4-12(15)10-13/h3-5,10-11H,2,6-9,15H2,1H3
InChIKeyHYAHVNQOHIADEP-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide
CID 65157552
N-(3-aminophenyl)-2-phenylsulfanyl-N-propylacetamide
CID 79212146
N-(3-aminophenyl)-N-propylacetamide;chlorobenzene;(4-methylcyclohexyl)methanamine
CID 143706089
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
CID 63229916
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
N-(3-aminophenyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80643965

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide?
The IUPAC name of N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide (CID 63229908) is N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide?
The canonical SMILES for N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide is CCCN(C(=O)CC1CC1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide?
The InChIKey is HYAHVNQOHIADEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-8-16(14(17)9-11-6-7-11)13-5-3-4-12(15)10-13/h3-5,10-11H,2,6-9,15H2,1H3.
What are the key properties of N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide?
N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide has a molecular weight of 232.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide is sourced from PubChem (CID 63229908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).