3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide

C15H22N2O — CID 114107058

IUPAC3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
SMILESCC1(CNC(=O)CCc2ccc(N)cc2)CCC1
InChIInChI=1S/C15H22N2O/c1-15(9-2-10-15)11-17-14(18)8-5-12-3-6-13(16)7-4-12/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,18)
InChIKeyQSSBVXCWMBADRU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.51
Rot. Bonds5

About 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide

3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide (PubChem CID 114107058) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
PubChem CID114107058
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide
SMILESCC1(CNC(=O)CCc2ccc(N)cc2)CCC1
InChIInChI=1S/C15H22N2O/c1-15(9-2-10-15)11-17-14(18)8-5-12-3-6-13(16)7-4-12/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,18)
InChIKeyQSSBVXCWMBADRU-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.51
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-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
2-(4-aminophenyl)-N-[(1-methylcyclopentyl)methyl]acetamide;hydrochloride
CID 119780541
1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445924
2-[1-[[3-(4-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 115341622
3-(4-aminophenyl)-N-(1-methylcyclobutyl)propanamide
CID 113485218
3-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106099130
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 77089318
(E)-3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]prop-2-enamide
CID 114107791
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide (CID 114107058) is 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide is CC1(CNC(=O)CCc2ccc(N)cc2)CCC1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide?
The InChIKey is QSSBVXCWMBADRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(9-2-10-15)11-17-14(18)8-5-12-3-6-13(16)7-4-12/h3-4,6-7H,2,5,8-11,16H2,1H3,(H,17,18).
What are the key properties of 3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide?
3-(4-aminophenyl)-N-[(1-methylcyclobutyl)methyl]propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.51, 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-[(1-methylcyclobutyl)methyl]propanamide is sourced from PubChem (CID 114107058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).