N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide

C16H24N2O3 — CID 113054996

IUPACN-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCN(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-4-5-16(20)17-10-11-18(13(2)19)12-14-6-8-15(21-3)9-7-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyBQAAAMDQGZJGTO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.96
Rot. Bonds8

About N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide

N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide (PubChem CID 113054996) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
PubChem CID113054996
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
SMILESCCCC(=O)NCCN(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-4-5-16(20)17-10-11-18(13(2)19)12-14-6-8-15(21-3)9-7-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyBQAAAMDQGZJGTO-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113055046
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 113055017
N-[2-[acetyl-[(4-chlorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054840
N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-4-methoxybenzamide
CID 113054653
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053170
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113053547
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide
CID 113119927
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113114987

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide?
The IUPAC name of N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide (CID 113054996) is N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide is CCCC(=O)NCCN(Cc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide?
The InChIKey is BQAAAMDQGZJGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-5-16(20)17-10-11-18(13(2)19)12-14-6-8-15(21-3)9-7-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,20).
What are the key properties of N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide?
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide is sourced from PubChem (CID 113054996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).