(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide

C16H24N2O4 — CID 32686708

IUPAC(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O4/c1-12(19)18-15(11-16(20)17-9-4-10-21-2)13-5-7-14(22-3)8-6-13/h5-8,15H,4,9-11H2,1-3H3,(H,17,20)(H,18,19)/t15-/m0/s1
InChIKeyHJCJHVYIERZVSM-HNNXBMFYSA-N
MW308.38 g/mol
LogP1.42
Rot. Bonds9

About (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide

(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide (PubChem CID 32686708) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
PubChem CID32686708
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O4/c1-12(19)18-15(11-16(20)17-9-4-10-21-2)13-5-7-14(22-3)8-6-13/h5-8,15H,4,9-11H2,1-3H3,(H,17,20)(H,18,19)/t15-/m0/s1
InChIKeyHJCJHVYIERZVSM-HNNXBMFYSA-N
XLogP1.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 86906508
3-cyclopropyl-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 110297343
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293
3-acetamido-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 167944863
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
(3S)-3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 29491645
3-acetamido-N-[(3-fluoro-4-methylphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 42925936
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide (CID 32686708) is (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C[C@H](NC(C)=O)c1ccc(OC)cc1.
What is the InChIKey of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
The InChIKey is HJCJHVYIERZVSM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12(19)18-15(11-16(20)17-9-4-10-21-2)13-5-7-14(22-3)8-6-13/h5-8,15H,4,9-11H2,1-3H3,(H,17,20)(H,18,19)/t15-/m0/s1.
What are the key properties of (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide?
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide has a molecular weight of 308.38 g/mol, XLogP of 1.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 32686708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).