3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

C22H28N2O4 — CID 134057816

IUPAC3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccc(OC(C)C)cc2)NC(C)=O)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)28-20-9-5-17(6-10-20)14-23-22(26)13-21(24-16(3)25)18-7-11-19(27-4)12-8-18/h5-12,15,21H,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyVKGGHFBUIOUXSX-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.37
Rot. Bonds9

About 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide

3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 134057816) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID134057816
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccc(OC(C)C)cc2)NC(C)=O)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)28-20-9-5-17(6-10-20)14-23-22(26)13-21(24-16(3)25)18-7-11-19(27-4)12-8-18/h5-12,15,21H,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyVKGGHFBUIOUXSX-UHFFFAOYSA-N
XLogP3.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 51950942
3-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 3536820
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78805890
3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 52573357
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 32686708
(3S)-3-acetamido-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 51954210

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide (CID 134057816) is 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is COc1ccc(C(CC(=O)NCc2ccc(OC(C)C)cc2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is VKGGHFBUIOUXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)28-20-9-5-17(6-10-20)14-23-22(26)13-21(24-16(3)25)18-7-11-19(27-4)12-8-18/h5-12,15,21H,13-14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide?
3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 134057816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).