N-[3-(cyclopropylamino)propyl]-2-phenylacetamide

C14H20N2O — CID 43596486

IUPACN-[3-(cyclopropylamino)propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCCNC1CC1
InChIInChI=1S/C14H20N2O/c17-14(11-12-5-2-1-3-6-12)16-10-4-9-15-13-7-8-13/h1-3,5-6,13,15H,4,7-11H2,(H,16,17)
InChIKeyLGFDIKSMDXEGRZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.49
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]-2-phenylacetamide

N-[3-(cyclopropylamino)propyl]-2-phenylacetamide (PubChem CID 43596486) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-2-phenylacetamide
PubChem CID43596486
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[3-(cyclopropylamino)propyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCCNC1CC1
InChIInChI=1S/C14H20N2O/c17-14(11-12-5-2-1-3-6-12)16-10-4-9-15-13-7-8-13/h1-3,5-6,13,15H,4,7-11H2,(H,16,17)
InChIKeyLGFDIKSMDXEGRZ-UHFFFAOYSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.49
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-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119619460
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 43596355
N-(4-hydroxycyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 110882867
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
2-(2-bromophenyl)-N-[2-(cyclopropylamino)ethyl]acetamide;hydrochloride
CID 86813788
2-[3-(cyclopropylamino)propylcarbamoyl]pyridine-3-carboxylic acid
CID 63615272
cis-(1R,3S)-3-[3-[(2-phenylacetyl)amino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120678404

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-2-phenylacetamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-2-phenylacetamide (CID 43596486) is N-[3-(cyclopropylamino)propyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-2-phenylacetamide?
The InChIKey is LGFDIKSMDXEGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(11-12-5-2-1-3-6-12)16-10-4-9-15-13-7-8-13/h1-3,5-6,13,15H,4,7-11H2,(H,16,17).
What are the key properties of N-[3-(cyclopropylamino)propyl]-2-phenylacetamide?
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide has a molecular weight of 232.33 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-2-phenylacetamide is sourced from PubChem (CID 43596486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).