4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide

C22H28N2O4 — CID 51940490

IUPAC4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
SMILESCOc1cc([C@H](C)NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCC(C)C
InChIInChI=1S/C22H28N2O4/c1-14(2)13-28-20-11-8-18(12-21(20)27-5)15(3)23-22(26)17-6-9-19(10-7-17)24-16(4)25/h6-12,14-15H,13H2,1-5H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyCQCJUTKXRBMCSF-HNNXBMFYSA-N
MW384.48 g/mol
LogP4.18
Rot. Bonds8

About 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide

4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide (PubChem CID 51940490) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
PubChem CID51940490
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
SMILESCOc1cc([C@H](C)NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCC(C)C
InChIInChI=1S/C22H28N2O4/c1-14(2)13-28-20-11-8-18(12-21(20)27-5)15(3)23-22(26)17-6-9-19(10-7-17)24-16(4)25/h6-12,14-15H,13H2,1-5H3,(H,23,26)(H,24,25)/t15-/m0/s1
InChIKeyCQCJUTKXRBMCSF-HNNXBMFYSA-N
XLogP4.18
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940486
5-acetamido-2-fluoro-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 60567782
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 55637535
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
N-(4-acetamidophenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 2549012
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 55639036

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide (CID 51940490) is 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide is COc1cc([C@H](C)NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCC(C)C.
What is the InChIKey of 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide?
The InChIKey is CQCJUTKXRBMCSF-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)13-28-20-11-8-18(12-21(20)27-5)15(3)23-22(26)17-6-9-19(10-7-17)24-16(4)25/h6-12,14-15H,13H2,1-5H3,(H,23,26)(H,24,25)/t15-/m0/s1.
What are the key properties of 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide?
4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide is sourced from PubChem (CID 51940490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).