N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide

C23H29NO4 — CID 100636290

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
SMILESCC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H29NO4/c1-4-19(17-10-11-20(26-2)21(16-17)27-3)24-22(25)23(12-14-28-15-13-23)18-8-6-5-7-9-18/h5-11,16,19H,4,12-15H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeySKGXDEFLPHUKEY-IBGZPJMESA-N
MW383.49 g/mol
LogP4.02
Rot. Bonds7

About N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide

N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide (PubChem CID 100636290) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
PubChem CID100636290
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
SMILESCC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C23H29NO4/c1-4-19(17-10-11-20(26-2)21(16-17)27-3)24-22(25)23(12-14-28-15-13-23)18-8-6-5-7-9-18/h5-11,16,19H,4,12-15H2,1-3H3,(H,24,25)/t19-/m0/s1
InChIKeySKGXDEFLPHUKEY-IBGZPJMESA-N
XLogP4.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 42648874
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
ethyl 2-methoxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 100747803
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
4-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 110001666

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide (CID 100636290) is N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide is CC[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide?
The InChIKey is SKGXDEFLPHUKEY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-19(17-10-11-20(26-2)21(16-17)27-3)24-22(25)23(12-14-28-15-13-23)18-8-6-5-7-9-18/h5-11,16,19H,4,12-15H2,1-3H3,(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 100636290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).