N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide

C22H27NO2 — CID 100771023

IUPACN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C
InChIInChI=1S/C22H27NO2/c1-16-9-10-19(15-17(16)2)18(3)23-21(24)22(11-13-25-14-12-22)20-7-5-4-6-8-20/h4-10,15,18H,11-14H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKeyNTIHNCWRYTUDMJ-SFHVURJKSA-N
MW337.46 g/mol
LogP4.23
Rot. Bonds4

About N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 100771023) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
PubChem CID100771023
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC NameN-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C
InChIInChI=1S/C22H27NO2/c1-16-9-10-19(15-17(16)2)18(3)23-21(24)22(11-13-25-14-12-22)20-7-5-4-6-8-20/h4-10,15,18H,11-14H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKeyNTIHNCWRYTUDMJ-SFHVURJKSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 133202792
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 26071120
4-phenyl-N-(2,4,6-trimethylphenyl)oxane-4-carboxamide
CID 27455998
N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-phenyloxane-4-carboxamide
CID 100636290
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-phenyloxane-4-carboxamide
CID 100723506
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 92612308
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 46979727
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide (CID 100771023) is N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide is Cc1ccc([C@H](C)NC(=O)C2(c3ccccc3)CCOCC2)cc1C.
What is the InChIKey of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is NTIHNCWRYTUDMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16-9-10-19(15-17(16)2)18(3)23-21(24)22(11-13-25-14-12-22)20-7-5-4-6-8-20/h4-10,15,18H,11-14H2,1-3H3,(H,23,24)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide?
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 100771023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).