(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide

C20H25N3O2 — CID 95585277

IUPAC(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
SMILESCC(=O)N[C@@H](CC(=O)N(C)[C@H](C)c1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O2/c1-14-5-7-18(8-6-14)19(22-16(3)24)13-20(25)23(4)15(2)17-9-11-21-12-10-17/h5-12,15,19H,13H2,1-4H3,(H,22,24)/t15-,19+/m1/s1
InChIKeySSFDFUZYKCEBPZ-BEFAXECRSA-N
MW339.44 g/mol
LogP3.18
Rot. Bonds6

About (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide

(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide (PubChem CID 95585277) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
PubChem CID95585277
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
SMILESCC(=O)N[C@@H](CC(=O)N(C)[C@H](C)c1ccncc1)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O2/c1-14-5-7-18(8-6-14)19(22-16(3)24)13-20(25)23(4)15(2)17-9-11-21-12-10-17/h5-12,15,19H,13H2,1-4H3,(H,22,24)/t15-,19+/m1/s1
InChIKeySSFDFUZYKCEBPZ-BEFAXECRSA-N
XLogP3.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
3-acetamido-3-(4-methylphenyl)-N-pyridin-4-ylpropanamide
CID 51314411
3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
CID 134058928
3-acetamido-3-(4-bromophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 112813664
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 86912332
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
CID 75854684
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
N-methyl-2-(propan-2-ylamino)-N-(1-pyridin-4-ylethyl)acetamide
CID 54874161
1-[[3-acetamido-3-(4-methylphenyl)propanoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539890
(3R)-3-(carbamoylamino)-N-methyl-3-phenyl-N-[(1R)-1-phenylethyl]propanamide
CID 41327189

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide (CID 95585277) is (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide is CC(=O)N[C@@H](CC(=O)N(C)[C@H](C)c1ccncc1)c1ccc(C)cc1.
What is the InChIKey of (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is SSFDFUZYKCEBPZ-BEFAXECRSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-5-7-18(8-6-14)19(22-16(3)24)13-20(25)23(4)15(2)17-9-11-21-12-10-17/h5-12,15,19H,13H2,1-4H3,(H,22,24)/t15-,19+/m1/s1.
What are the key properties of (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide?
(3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 95585277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).