N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide

C20H31NO3 — CID 100734045

IUPACN-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC(C)CC1
InChIInChI=1S/C20H31NO3/c1-5-16(4)24-18-9-7-17(8-10-18)21-19(22)20(23-6-2)13-11-15(3)12-14-20/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,21,22)/t15?,16-,20?/m0/s1
InChIKeyNXTMJGRDFKWYQO-NGEICVOHSA-N
MW333.47 g/mol
LogP4.79
Rot. Bonds7

About N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide

N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide (PubChem CID 100734045) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
PubChem CID100734045
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC(C)CC1
InChIInChI=1S/C20H31NO3/c1-5-16(4)24-18-9-7-17(8-10-18)21-19(22)20(23-6-2)13-11-15(3)12-14-20/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,21,22)/t15?,16-,20?/m0/s1
InChIKeyNXTMJGRDFKWYQO-NGEICVOHSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734054
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707870
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729496
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100763184
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464
1-ethoxy-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclohexane-1-carboxamide
CID 100734194
N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 133203978
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100717133
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 133246436
1-ethoxy-4-methyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 100734391
1-ethoxy-4-methyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclohexane-1-carboxamide
CID 125060354

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide (CID 100734045) is N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide is CCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)CCC(C)CC1.
What is the InChIKey of N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide?
The InChIKey is NXTMJGRDFKWYQO-NGEICVOHSA-N. The full InChI is InChI=1S/C20H31NO3/c1-5-16(4)24-18-9-7-17(8-10-18)21-19(22)20(23-6-2)13-11-15(3)12-14-20/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,21,22)/t15?,16-,20?/m0/s1.
What are the key properties of N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide?
N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide has a molecular weight of 333.47 g/mol, XLogP of 4.79, 7 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]-1-ethoxy-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100734045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).