N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide

C19H22N2O2 — CID 119440695

IUPACN-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
SMILESCCNCc1ccccc1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-20-14-16-10-6-7-11-17(16)21-19(23)13-12-18(22)15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,21,23)
InChIKeyDJUVZEYQVYXPKX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.40
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide

N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide (PubChem CID 119440695) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
PubChem CID119440695
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
SMILESCCNCc1ccccc1NC(=O)CCC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-2-20-14-16-10-6-7-11-17(16)21-19(23)13-12-18(22)15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,21,23)
InChIKeyDJUVZEYQVYXPKX-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 119440729
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride
CID 119439099
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882
N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
CID 119438867
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577
N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
CID 119440586
2-[2-[[4-(4-butylphenyl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353072
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide (CID 119440695) is N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide is CCNCc1ccccc1NC(=O)CCC(=O)c1ccccc1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide?
The InChIKey is DJUVZEYQVYXPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-20-14-16-10-6-7-11-17(16)21-19(23)13-12-18(22)15-8-4-3-5-9-15/h3-11,20H,2,12-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide?
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide has a molecular weight of 310.40 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 119440695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).