3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide

C17H26N2O3 — CID 113118382

IUPAC3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(Cc1ccccc1C)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-14-7-4-5-8-16(14)13-19(15(2)20)11-9-17(21)18-10-6-12-22-3/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,21)
InChIKeyRYTLOAYQIZRAOF-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.89
Rot. Bonds9

About 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide

3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide (PubChem CID 113118382) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
PubChem CID113118382
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCN(Cc1ccccc1C)C(C)=O
InChIInChI=1S/C17H26N2O3/c1-14-7-4-5-8-16(14)13-19(15(2)20)11-9-17(21)18-10-6-12-22-3/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,21)
InChIKeyRYTLOAYQIZRAOF-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113118403
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 113162526
N-[2-[acetyl-[(2-methylphenyl)methyl]amino]ethyl]-3-phenylpropanamide
CID 113054142
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 113118369
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113055046
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113119130
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113120912
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide (CID 113118382) is 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCN(Cc1ccccc1C)C(C)=O.
What is the InChIKey of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is RYTLOAYQIZRAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14-7-4-5-8-16(14)13-19(15(2)20)11-9-17(21)18-10-6-12-22-3/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide?
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 113118382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).