3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide

C13H18N2O — CID 43309173

IUPAC3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
SMILESNc1ccc(CCC(=O)NCC2CC2)cc1
InChIInChI=1S/C13H18N2O/c14-12-6-3-10(4-7-12)5-8-13(16)15-9-11-1-2-11/h3-4,6-7,11H,1-2,5,8-9,14H2,(H,15,16)
InChIKeyRQYALLQQLUOBNE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.73
Rot. Bonds5

About 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide

3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide (PubChem CID 43309173) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
PubChem CID43309173
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
SMILESNc1ccc(CCC(=O)NCC2CC2)cc1
InChIInChI=1S/C13H18N2O/c14-12-6-3-10(4-7-12)5-8-13(16)15-9-11-1-2-11/h3-4,6-7,11H,1-2,5,8-9,14H2,(H,15,16)
InChIKeyRQYALLQQLUOBNE-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
N-(cyclopropylmethyl)-3-[4-(piperidin-4-ylmethyl)phenyl]propanamide;hydrochloride
CID 146064790
N-[(4-bromocyclohexyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 106134334
4-[3-oxo-3-(thian-4-ylmethylamino)propyl]benzoic acid
CID 119182872
4-[(3-pyridin-4-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963619
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide (CID 43309173) is 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide is Nc1ccc(CCC(=O)NCC2CC2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide?
The InChIKey is RQYALLQQLUOBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-12-6-3-10(4-7-12)5-8-13(16)15-9-11-1-2-11/h3-4,6-7,11H,1-2,5,8-9,14H2,(H,15,16).
What are the key properties of 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide?
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide has a molecular weight of 218.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide is sourced from PubChem (CID 43309173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).