2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide

C23H30N2O4 — CID 51940486

IUPAC2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1cc([C@H](C)NC(=O)Cc2ccc(NC(C)=O)cc2)ccc1OCC(C)C
InChIInChI=1S/C23H30N2O4/c1-15(2)14-29-21-11-8-19(13-22(21)28-5)16(3)24-23(27)12-18-6-9-20(10-7-18)25-17(4)26/h6-11,13,15-16H,12,14H2,1-5H3,(H,24,27)(H,25,26)/t16-/m0/s1
InChIKeyLVAMDXPNLAOFSX-INIZCTEOSA-N
MW398.50 g/mol
LogP4.11
Rot. Bonds9

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

2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide (PubChem CID 51940486) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
PubChem CID51940486
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1cc([C@H](C)NC(=O)Cc2ccc(NC(C)=O)cc2)ccc1OCC(C)C
InChIInChI=1S/C23H30N2O4/c1-15(2)14-29-21-11-8-19(13-22(21)28-5)16(3)24-23(27)12-18-6-9-20(10-7-18)25-17(4)26/h6-11,13,15-16H,12,14H2,1-5H3,(H,24,27)(H,25,26)/t16-/m0/s1
InChIKeyLVAMDXPNLAOFSX-INIZCTEOSA-N
XLogP4.11
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119732092
4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 51940490
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
5-acetamido-2-fluoro-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 60567782
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
N-(4-acetamidophenyl)-2-[(3,4-dimethoxyphenyl)methyl-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]amino]acetamide
CID 110194268

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide (CID 51940486) is 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide is COc1cc([C@H](C)NC(=O)Cc2ccc(NC(C)=O)cc2)ccc1OCC(C)C.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The InChIKey is LVAMDXPNLAOFSX-INIZCTEOSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-15(2)14-29-21-11-8-19(13-22(21)28-5)16(3)24-23(27)12-18-6-9-20(10-7-18)25-17(4)26/h6-11,13,15-16H,12,14H2,1-5H3,(H,24,27)(H,25,26)/t16-/m0/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide has a molecular weight of 398.50 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 51940486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).