N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide

C16H24N2O — CID 114758855

IUPACN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
SMILESNCCC1(CNC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c17-12-11-16(9-10-16)13-18-15(19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,17H2,(H,18,19)
InChIKeyOXZYOQWYLXSAGE-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.25
Rot. Bonds8

About N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide

N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide (PubChem CID 114758855) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
PubChem CID114758855
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
SMILESNCCC1(CNC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c17-12-11-16(9-10-16)13-18-15(19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,17H2,(H,18,19)
InChIKeyOXZYOQWYLXSAGE-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
7-amino-N-[(1-benzylcyclobutyl)methyl]heptanamide;hydrochloride
CID 119821633
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-phenylbutanamide
CID 90499010
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
CID 115271407
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-ethoxybutanamide
CID 114758885
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide
CID 115271554
6-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]hexanamide
CID 114756702
3-amino-N-[(1-ethylcyclopropyl)methyl]propanamide
CID 103796646
N-[(3-aminocyclobutyl)methyl]-4-phenylbutanamide
CID 66004709

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide?
The IUPAC name of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide (CID 114758855) is N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide.
What is the SMILES notation for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide?
The canonical SMILES for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide is NCCC1(CNC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide?
The InChIKey is OXZYOQWYLXSAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-12-11-16(9-10-16)13-18-15(19)8-4-7-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,17H2,(H,18,19).
What are the key properties of N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide?
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide is sourced from PubChem (CID 114758855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).