N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide

C21H28N2O — CID 119438867

IUPACN-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
SMILESCCNCc1ccccc1NC(=O)CC(c1ccccc1)C(C)C
InChIInChI=1S/C21H28N2O/c1-4-22-15-18-12-8-9-13-20(18)23-21(24)14-19(16(2)3)17-10-6-5-7-11-17/h5-13,16,19,22H,4,14-15H2,1-3H3,(H,23,24)
InChIKeyQLJZPHIDUGMVLY-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.56
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide

N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide (PubChem CID 119438867) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
PubChem CID119438867
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
SMILESCCNCc1ccccc1NC(=O)CC(c1ccccc1)C(C)C
InChIInChI=1S/C21H28N2O/c1-4-22-15-18-12-8-9-13-20(18)23-21(24)14-19(16(2)3)17-10-6-5-7-11-17/h5-13,16,19,22H,4,14-15H2,1-3H3,(H,23,24)
InChIKeyQLJZPHIDUGMVLY-UHFFFAOYSA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119439753
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 119440333
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
CID 119438980
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119439167
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119440626

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide (CID 119438867) is N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide is CCNCc1ccccc1NC(=O)CC(c1ccccc1)C(C)C.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide?
The InChIKey is QLJZPHIDUGMVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-22-15-18-12-8-9-13-20(18)23-21(24)14-19(16(2)3)17-10-6-5-7-11-17/h5-13,16,19,22H,4,14-15H2,1-3H3,(H,23,24).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide?
N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide has a molecular weight of 324.47 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide is sourced from PubChem (CID 119438867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).