3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide

C18H28N2O3 — CID 113119927

IUPAC3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-5-6-12-19(3)18(22)11-13-20(15(2)21)14-16-7-9-17(23-4)10-8-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyLHYZJVNTUMJYIR-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.69
Rot. Bonds9

About 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide

3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide (PubChem CID 113119927) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide
PubChem CID113119927
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(Cc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C18H28N2O3/c1-5-6-12-19(3)18(22)11-13-20(15(2)21)14-16-7-9-17(23-4)10-8-16/h7-10H,5-6,11-14H2,1-4H3
InChIKeyLHYZJVNTUMJYIR-UHFFFAOYSA-N
XLogP2.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 113119864
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide
CID 113163098
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]butanamide
CID 113054996
N-[(4-methoxyphenyl)methyl]-N-(tributylstannylmethyl)acetamide
CID 10528779
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113115841
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 6422491
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide?
The IUPAC name of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide (CID 113119927) is 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide.
What is the SMILES notation for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide?
The canonical SMILES for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide is CCCCN(C)C(=O)CCN(Cc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide?
The InChIKey is LHYZJVNTUMJYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-6-12-19(3)18(22)11-13-20(15(2)21)14-16-7-9-17(23-4)10-8-16/h7-10H,5-6,11-14H2,1-4H3.
What are the key properties of 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide?
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide has a molecular weight of 320.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-butyl-N-methylpropanamide is sourced from PubChem (CID 113119927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).