N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide

C14H20N2O — CID 55090993

IUPACN-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-2-4-12(5-3-11)10-15-9-8-14(17)16-13-6-7-13/h2-5,13,15H,6-10H2,1H3,(H,16,17)
InChIKeyKNJOAJTXSJRHRF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.75
Rot. Bonds6

About N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide

N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 55090993) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID55090993
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-2-4-12(5-3-11)10-15-9-8-14(17)16-13-6-7-13/h2-5,13,15H,6-10H2,1H3,(H,16,17)
InChIKeyKNJOAJTXSJRHRF-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 79394044
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-cyclopropyl-3-[[4-(N'-hydroxycarbamimidoyl)phenyl]methylamino]propanamide
CID 79401252
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013435
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
N-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
CID 78922185
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide (CID 55090993) is N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide is Cc1ccc(CNCCC(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is KNJOAJTXSJRHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-2-4-12(5-3-11)10-15-9-8-14(17)16-13-6-7-13/h2-5,13,15H,6-10H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide?
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide has a molecular weight of 232.33 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 55090993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).