N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide

C19H29NO3 — CID 100707870

IUPACN-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1
InChIInChI=1S/C19H29NO3/c1-5-15(3)23-17-8-6-16(7-9-17)20-18(21)19(22-4)12-10-14(2)11-13-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,21)/t14?,15-,19?/m1/s1
InChIKeyATWKOKKDIBMLKU-XAUUPUKJSA-N
MW319.45 g/mol
LogP4.40
Rot. Bonds6

About N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide

N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide (PubChem CID 100707870) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
PubChem CID100707870
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC NameN-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
SMILESCC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1
InChIInChI=1S/C19H29NO3/c1-5-15(3)23-17-8-6-16(7-9-17)20-18(21)19(22-4)12-10-14(2)11-13-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,21)/t14?,15-,19?/m1/s1
InChIKeyATWKOKKDIBMLKU-XAUUPUKJSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734045
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734054
1-methoxy-N-[4-(2-methoxyethoxy)phenyl]-4-methylcyclohexane-1-carboxamide
CID 100708275
N-[4-(2-bromoethoxy)phenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100707995
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729496
1-methoxy-4-methyl-N-(4-phenylmethoxyphenyl)cyclohexane-1-carboxamide
CID 100707919
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119298195
N-[3-chloro-4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100708558
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624362
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100763184

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide (CID 100707870) is N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide is CC[C@@H](C)Oc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide?
The InChIKey is ATWKOKKDIBMLKU-XAUUPUKJSA-N. The full InChI is InChI=1S/C19H29NO3/c1-5-15(3)23-17-8-6-16(7-9-17)20-18(21)19(22-4)12-10-14(2)11-13-19/h6-9,14-15H,5,10-13H2,1-4H3,(H,20,21)/t14?,15-,19?/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide?
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 100707870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).