N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide

C22H27NO3 — CID 94646439

IUPACN-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide
SMILESCC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H27NO3/c1-3-17(2)26-20-11-9-19(10-12-20)23-21(24)22(13-15-25-16-14-22)18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyPNWNGKCPEXOMHS-KRWDZBQOSA-N
MW353.46 g/mol
LogP4.55
Rot. Bonds6

About N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide

N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide (PubChem CID 94646439) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide
PubChem CID94646439
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide
SMILESCC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1
InChIInChI=1S/C22H27NO3/c1-3-17(2)26-20-11-9-19(10-12-20)23-21(24)22(13-15-25-16-14-22)18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3,(H,23,24)/t17-/m0/s1
InChIKeyPNWNGKCPEXOMHS-KRWDZBQOSA-N
XLogP4.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(2S)-butan-2-yl]oxyphenyl]-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-(4-butan-2-yloxyphenyl)-4-phenyloxane-4-carboxamide
CID 133187943
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-4-phenyloxane-4-carboxamide
CID 100679396
ethyl 2-butan-2-yloxy-5-[(4-phenyloxane-4-carbonyl)amino]benzoate
CID 133229622
N-[4-(2-bromoethoxy)phenyl]-4-phenyloxane-4-carboxamide
CID 100679083
methyl 2-[(2R)-butan-2-yl]oxy-5-[[4-(4-methoxyphenyl)oxane-4-carbonyl]amino]benzoate
CID 100750107
N-(4-butan-2-yloxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 133179608
4-(4-methylphenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100681565
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 100683990
4-phenyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 100679278
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
4-(2-fluorophenyl)-N-(4-propan-2-yloxyphenyl)oxane-4-carboxamide
CID 100682300
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729496

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide (CID 94646439) is N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide is CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide?
The InChIKey is PNWNGKCPEXOMHS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-17(2)26-20-11-9-19(10-12-20)23-21(24)22(13-15-25-16-14-22)18-7-5-4-6-8-18/h4-12,17H,3,13-16H2,1-2H3,(H,23,24)/t17-/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide?
N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide has a molecular weight of 353.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-butan-2-yl]oxyphenyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 94646439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).