2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide

C16H24N2O — CID 106910711

IUPAC2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
SMILESCCCNCc1cccc(NC(=O)C(C)C2CC2)c1
InChIInChI=1S/C16H24N2O/c1-3-9-17-11-13-5-4-6-15(10-13)18-16(19)12(2)14-7-8-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19)
InChIKeyURVSSVPZQYCXPE-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.17
Rot. Bonds7

About 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide

2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide (PubChem CID 106910711) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
PubChem CID106910711
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
SMILESCCCNCc1cccc(NC(=O)C(C)C2CC2)c1
InChIInChI=1S/C16H24N2O/c1-3-9-17-11-13-5-4-6-15(10-13)18-16(19)12(2)14-7-8-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19)
InChIKeyURVSSVPZQYCXPE-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.17
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

2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
CID 106910721
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
2-cyclopropyl-N-(3-formylphenyl)propanamide
CID 106912491
4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911651
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
2-(dimethylamino)-N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide;dihydrochloride
CID 119438218
N-[3-(propylaminomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 106910687
2,5-dimethyl-N-[3-(propylaminomethyl)phenyl]furan-3-carboxamide
CID 106910635
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide (CID 106910711) is 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide is CCCNCc1cccc(NC(=O)C(C)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide?
The InChIKey is URVSSVPZQYCXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-9-17-11-13-5-4-6-15(10-13)18-16(19)12(2)14-7-8-14/h4-6,10,12,14,17H,3,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide?
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide is sourced from PubChem (CID 106910711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).