N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide

C16H24N2O — CID 109013435

IUPACN-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-5-4-6-14(11-13)12-17-10-9-16(19)18-15-7-2-3-8-15/h4-6,11,15,17H,2-3,7-10,12H2,1H3,(H,18,19)
InChIKeyTXCQIKCPRRCVTH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.53
Rot. Bonds6

About N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide

N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide (PubChem CID 109013435) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
PubChem CID109013435
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide
SMILESCc1cccc(CNCCC(=O)NC2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-5-4-6-14(11-13)12-17-10-9-16(19)18-15-7-2-3-8-15/h4-6,11,15,17H,2-3,7-10,12H2,1H3,(H,18,19)
InChIKeyTXCQIKCPRRCVTH-UHFFFAOYSA-N
XLogP2.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.53
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-cyclohexyl-3-[(3-methylphenyl)methylamino]propanamide
CID 109013960
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
N-(1,1-dioxothiolan-3-yl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019597
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-cyclopentyl-3-[[N'-methyl-N-[(3-methylphenyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111900894
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
N-[(3-methylphenyl)methyl]cyclopentanamine;oxalic acid
CID 163327213
3-[[3-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylpropanamide
CID 79386301

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide?
The IUPAC name of N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide (CID 109013435) is N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide is Cc1cccc(CNCCC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide?
The InChIKey is TXCQIKCPRRCVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-5-4-6-14(11-13)12-17-10-9-16(19)18-15-7-2-3-8-15/h4-6,11,15,17H,2-3,7-10,12H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide?
N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[(3-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109013435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).