3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide

C18H28N2O3 — CID 134021990

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCC(C)C)NC(C)=O)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)6-5-11-19-18(22)12-17(20-14(3)21)15-7-9-16(23-4)10-8-15/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyBGPVOLXZUDFUTN-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.81
Rot. Bonds9

About 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide

3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide (PubChem CID 134021990) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
PubChem CID134021990
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCCC(C)C)NC(C)=O)cc1
InChIInChI=1S/C18H28N2O3/c1-13(2)6-5-11-19-18(22)12-17(20-14(3)21)15-7-9-16(23-4)10-8-15/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyBGPVOLXZUDFUTN-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.81
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

(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
3-acetamido-3-(4-methoxyphenyl)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 86906508
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134057816
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
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-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
(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 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide (CID 134021990) is 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide is COc1ccc(C(CC(=O)NCCCC(C)C)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide?
The InChIKey is BGPVOLXZUDFUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)6-5-11-19-18(22)12-17(20-14(3)21)15-7-9-16(23-4)10-8-15/h7-10,13,17H,5-6,11-12H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide is sourced from PubChem (CID 134021990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).