3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide

C14H20N2O — CID 113485218

IUPAC3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide
SMILESCC1(NC(=O)CCc2ccc(N)cc2)CCC1
InChIInChI=1S/C14H20N2O/c1-14(9-2-10-14)16-13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,2,5,8-10,15H2,1H3,(H,16,17)
InChIKeyDSNIGFFPMAVCRS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds4

About 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide

3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide (PubChem CID 113485218) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide
PubChem CID113485218
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide
SMILESCC1(NC(=O)CCc2ccc(N)cc2)CCC1
InChIInChI=1S/C14H20N2O/c1-14(9-2-10-14)16-13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,2,5,8-10,15H2,1H3,(H,16,17)
InChIKeyDSNIGFFPMAVCRS-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.26
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

2-(4-aminophenyl)-N-(1-methylcyclopentyl)acetamide;hydrochloride
CID 119736524
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
CID 114107058
1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445924
2-(3-aminophenyl)-N-(1-methylcyclopentyl)acetamide
CID 55083856
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
4-[2-[(1-methylcyclopentyl)amino]ethyl]aniline
CID 64687654
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
3-(4-aminophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)propanamide
CID 115357817
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
4-[3-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-3-oxopropyl]benzoic acid
CID 125153020

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide (CID 113485218) is 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide is CC1(NC(=O)CCc2ccc(N)cc2)CCC1.
What is the InChIKey of 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide?
The InChIKey is DSNIGFFPMAVCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(9-2-10-14)16-13(17)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,2,5,8-10,15H2,1H3,(H,16,17).
What are the key properties of 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide?
3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide has a molecular weight of 232.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide is sourced from PubChem (CID 113485218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).