3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide

C23H31N3O2 — CID 51313145

IUPAC3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCCN(C)Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O2/c1-18-10-12-21(13-11-18)22(25-19(2)27)16-23(28)24-14-7-15-26(3)17-20-8-5-4-6-9-20/h4-6,8-13,22H,7,14-17H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyBCTDIAACELKBJH-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.20
Rot. Bonds10

About 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide

3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide (PubChem CID 51313145) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide
PubChem CID51313145
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCCN(C)Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C23H31N3O2/c1-18-10-12-21(13-11-18)22(25-19(2)27)16-23(28)24-14-7-15-26(3)17-20-8-5-4-6-9-20/h4-6,8-13,22H,7,14-17H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyBCTDIAACELKBJH-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide
CID 43039918
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56501104
3-acetamido-3-(4-methylphenyl)-N-[2-(2-nitroanilino)ethyl]propanamide
CID 46520907
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide (CID 51313145) is 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide is CC(=O)NC(CC(=O)NCCCN(C)Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide?
The InChIKey is BCTDIAACELKBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-18-10-12-21(13-11-18)22(25-19(2)27)16-23(28)24-14-7-15-26(3)17-20-8-5-4-6-9-20/h4-6,8-13,22H,7,14-17H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide?
3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide has a molecular weight of 381.52 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51313145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).