N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide

C20H31NO3 — CID 100705167

IUPACN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
SMILESCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCCC1
InChIInChI=1S/C20H31NO3/c1-14(2)24-18-15(3)12-17(13-16(18)4)21-19(22)20(23-5)10-8-6-7-9-11-20/h12-14H,6-11H2,1-5H3,(H,21,22)
InChIKeyBWLNOAHLBDIGAN-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.77
Rot. Bonds5

About N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide

N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide (PubChem CID 100705167) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
PubChem CID100705167
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC NameN-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
SMILESCOC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCCC1
InChIInChI=1S/C20H31NO3/c1-14(2)24-18-15(3)12-17(13-16(18)4)21-19(22)20(23-5)10-8-6-7-9-11-20/h12-14H,6-11H2,1-5H3,(H,21,22)
InChIKeyBWLNOAHLBDIGAN-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-methoxycyclohexane-1-carboxamide
CID 100704236
cis-(1S,3S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707365
trans-(1R,3S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707373
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731598
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658755
N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100730131
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100671854
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-(2-fluorophenyl)cyclopentane-1-carboxamide
CID 100663768
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705112
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100708507
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100756429

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide (CID 100705167) is N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide is COC1(C(=O)Nc2cc(C)c(OC(C)C)c(C)c2)CCCCCC1.
What is the InChIKey of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide?
The InChIKey is BWLNOAHLBDIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-14(2)24-18-15(3)12-17(13-16(18)4)21-19(22)20(23-5)10-8-6-7-9-11-20/h12-14H,6-11H2,1-5H3,(H,21,22).
What are the key properties of N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide?
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide has a molecular weight of 333.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide is sourced from PubChem (CID 100705167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).