N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide

C15H22N2O — CID 65189008

IUPACN-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
SMILESNCC(NC(=O)CCCc1ccccc1)C1CC1
InChIInChI=1S/C15H22N2O/c16-11-14(13-9-10-13)17-15(18)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18)
InChIKeyDGNBMYOYFBIGCI-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.86
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide

N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide (PubChem CID 65189008) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
PubChem CID65189008
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide
SMILESNCC(NC(=O)CCCc1ccccc1)C1CC1
InChIInChI=1S/C15H22N2O/c16-11-14(13-9-10-13)17-15(18)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18)
InChIKeyDGNBMYOYFBIGCI-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 81361645
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7-amino-N-(1-cyclopropyl-2-phenylethyl)heptanamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 119613032
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N-(2-amino-1-cyclopropylethyl)-4-(2-chlorophenoxy)butanamide
CID 119617753
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
CID 119591993
N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 119615189
1-(2-amino-1-cyclopropylethyl)-3-(1,2-diphenylethyl)urea
CID 166237644
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
N-(2-amino-1-cyclopropylethyl)-2,2-diphenylacetamide;hydrochloride
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CID 119613813

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide (CID 65189008) is N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide is NCC(NC(=O)CCCc1ccccc1)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide?
The InChIKey is DGNBMYOYFBIGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-11-14(13-9-10-13)17-15(18)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11,16H2,(H,17,18).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide?
N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-phenylbutanamide is sourced from PubChem (CID 65189008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).