N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide

C15H22N2O3 — CID 113051986

IUPACN-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)17(12(3)18)10-9-16-15(19)13-5-7-14(20-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,16,19)
InChIKeyRJLBFFKWJKCTPI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.68
Rot. Bonds6

About N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide

N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide (PubChem CID 113051986) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
PubChem CID113051986
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN(C(C)=O)C(C)C)cc1
InChIInChI=1S/C15H22N2O3/c1-11(2)17(12(3)18)10-9-16-15(19)13-5-7-14(20-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,16,19)
InChIKeyRJLBFFKWJKCTPI-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974
N-[2-[acetyl(propan-2-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113051989
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052674
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-difluorobenzamide
CID 113052022
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide (CID 113051986) is N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN(C(C)=O)C(C)C)cc1.
What is the InChIKey of N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide?
The InChIKey is RJLBFFKWJKCTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)17(12(3)18)10-9-16-15(19)13-5-7-14(20-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,16,19).
What are the key properties of N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide?
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 113051986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).