3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide

C24H32N2O3 — CID 113121500

IUPAC3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide
SMILESCOc1ccc(CCN(CCC(=O)N(Cc2ccccc2)C(C)C)C(C)=O)cc1
InChIInChI=1S/C24H32N2O3/c1-19(2)26(18-22-8-6-5-7-9-22)24(28)15-17-25(20(3)27)16-14-21-10-12-23(29-4)13-11-21/h5-13,19H,14-18H2,1-4H3
InChIKeyPRVMGLOYDRJNCP-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.91
Rot. Bonds10

About 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide

3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide (PubChem CID 113121500) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide
PubChem CID113121500
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide
SMILESCOc1ccc(CCN(CCC(=O)N(Cc2ccccc2)C(C)C)C(C)=O)cc1
InChIInChI=1S/C24H32N2O3/c1-19(2)26(18-22-8-6-5-7-9-22)24(28)15-17-25(20(3)27)16-14-21-10-12-23(29-4)13-11-21/h5-13,19H,14-18H2,1-4H3
InChIKeyPRVMGLOYDRJNCP-UHFFFAOYSA-N
XLogP3.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(propyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113114991
3-[acetyl(butyl)amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113115788
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-4-methoxybenzamide
CID 113055550
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]acetamide
CID 113055946
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-methyl-N-phenylpropanamide
CID 113121389
N-(methoxymethyl)-N-(2-phenylethyl)acetamide
CID 102037583

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide (CID 113121500) is 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide is COc1ccc(CCN(CCC(=O)N(Cc2ccccc2)C(C)C)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide?
The InChIKey is PRVMGLOYDRJNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-19(2)26(18-22-8-6-5-7-9-22)24(28)15-17-25(20(3)27)16-14-21-10-12-23(29-4)13-11-21/h5-13,19H,14-18H2,1-4H3.
What are the key properties of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide?
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide has a molecular weight of 396.53 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 113121500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).