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

C15H22N2O — CID 106910721

IUPAC2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
SMILESCCCNCc1cccc(NC(=O)CC2CC2)c1
InChIInChI=1S/C15H22N2O/c1-2-8-16-11-13-4-3-5-14(9-13)17-15(18)10-12-6-7-12/h3-5,9,12,16H,2,6-8,10-11H2,1H3,(H,17,18)
InChIKeySZAKNVBZBZOMPZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.92
Rot. Bonds7

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

2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide (PubChem CID 106910721) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
PubChem CID106910721
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide
SMILESCCCNCc1cccc(NC(=O)CC2CC2)c1
InChIInChI=1S/C15H22N2O/c1-2-8-16-11-13-4-3-5-14(9-13)17-15(18)10-12-6-7-12/h3-5,9,12,16H,2,6-8,10-11H2,1H3,(H,17,18)
InChIKeySZAKNVBZBZOMPZ-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.92
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-cyclopropyl-N-[3-(propylaminomethyl)phenyl]propanamide
CID 106910711
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632
4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911651
2,3-dimethyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910739
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
2-cyclopropyl-N-phenylacetamide
CID 60753326
N-[3-(chloromethyl)phenyl]-2-(thian-4-yl)acetamide
CID 83138099
tert-butyl N-[3-[[3-[(2-cyclopentylacetyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921459

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide (CID 106910721) is 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide is CCCNCc1cccc(NC(=O)CC2CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide?
The InChIKey is SZAKNVBZBZOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-8-16-11-13-4-3-5-14(9-13)17-15(18)10-12-6-7-12/h3-5,9,12,16H,2,6-8,10-11H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide?
2-cyclopropyl-N-[3-(propylaminomethyl)phenyl]acetamide has a molecular weight of 246.35 g/mol, XLogP of 2.92, 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]acetamide is sourced from PubChem (CID 106910721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).