2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide

C12H16N2O — CID 28689695

IUPAC2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
SMILESNc1cccc(CC(=O)NCC2CC2)c1
InChIInChI=1S/C12H16N2O/c13-11-3-1-2-10(6-11)7-12(15)14-8-9-4-5-9/h1-3,6,9H,4-5,7-8,13H2,(H,14,15)
InChIKeyPADQTHCJMFGKAQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.34
Rot. Bonds4

About 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide

2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide (PubChem CID 28689695) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
PubChem CID28689695
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
SMILESNc1cccc(CC(=O)NCC2CC2)c1
InChIInChI=1S/C12H16N2O/c13-11-3-1-2-10(6-11)7-12(15)14-8-9-4-5-9/h1-3,6,9H,4-5,7-8,13H2,(H,14,15)
InChIKeyPADQTHCJMFGKAQ-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 63725713
N-[(3-aminocyclopentyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 114146228
2-(3-aminophenyl)-N-(1,4-dioxan-2-ylmethyl)acetamide
CID 55083536
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
2-(3-aminophenyl)-N-(dicyclopropylmethyl)acetamide
CID 55083999
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 113235632

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide (CID 28689695) is 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide is Nc1cccc(CC(=O)NCC2CC2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is PADQTHCJMFGKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-3-1-2-10(6-11)7-12(15)14-8-9-4-5-9/h1-3,6,9H,4-5,7-8,13H2,(H,14,15).
What are the key properties of 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide?
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 28689695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).