3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide

C23H30N2O2 — CID 43039918

IUPAC3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O2/c1-5-18(3)25(16-20-9-7-6-8-10-20)23(27)15-22(24-19(4)26)21-13-11-17(2)12-14-21/h6-14,18,22H,5,15-16H2,1-4H3,(H,24,26)
InChIKeyRJLGWYLIMQYOBK-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.39
Rot. Bonds8

About 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide

3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide (PubChem CID 43039918) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide
PubChem CID43039918
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C23H30N2O2/c1-5-18(3)25(16-20-9-7-6-8-10-20)23(27)15-22(24-19(4)26)21-13-11-17(2)12-14-21/h6-14,18,22H,5,15-16H2,1-4H3,(H,24,26)
InChIKeyRJLGWYLIMQYOBK-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-benzyl-3-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 56501104
3-acetamido-N-[3-[benzyl(methyl)amino]propyl]-3-(4-methylphenyl)propanamide
CID 51313145
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
CID 134058928
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
benzyl(butan-2-yl)carbamic acid
CID 18954164
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
3-acetamido-N,N-diethyl-3-phenylpropanamide
CID 78777211
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide (CID 43039918) is 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide is CCC(C)N(Cc1ccccc1)C(=O)CC(NC(C)=O)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide?
The InChIKey is RJLGWYLIMQYOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-5-18(3)25(16-20-9-7-6-8-10-20)23(27)15-22(24-19(4)26)21-13-11-17(2)12-14-21/h6-14,18,22H,5,15-16H2,1-4H3,(H,24,26).
What are the key properties of 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide?
3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-benzyl-N-butan-2-yl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 43039918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).