N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide

C24H33NO3 — CID 133203978

IUPACN-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OC(C)CC)c3ccccc23)CCC(C)CC1
InChIInChI=1S/C24H33NO3/c1-5-18(4)28-22-12-11-21(19-9-7-8-10-20(19)22)25-23(26)24(27-6-2)15-13-17(3)14-16-24/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,25,26)
InChIKeyBKABMARMSVRCLD-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.94
Rot. Bonds7

About N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide

N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide (PubChem CID 133203978) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
PubChem CID133203978
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OC(C)CC)c3ccccc23)CCC(C)CC1
InChIInChI=1S/C24H33NO3/c1-5-18(4)28-22-12-11-21(19-9-7-8-10-20(19)22)25-23(26)24(27-6-2)15-13-17(3)14-16-24/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,25,26)
InChIKeyBKABMARMSVRCLD-UHFFFAOYSA-N
XLogP5.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
CID 100761838
cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100762964
cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768346
N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
CID 133205425
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734054
N-[4-[(2S)-butan-2-yl]oxyphenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100734045
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 100763184
trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100762995
1-methoxy-4-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757809
trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100762900
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100745808
2-bromo-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-2-methylpropanamide
CID 100751670

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide (CID 133203978) is N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OC(C)CC)c3ccccc23)CCC(C)CC1.
What is the InChIKey of N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide?
The InChIKey is BKABMARMSVRCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-5-18(4)28-22-12-11-21(19-9-7-8-10-20(19)22)25-23(26)24(27-6-2)15-13-17(3)14-16-24/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,25,26).
What are the key properties of N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide?
N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide has a molecular weight of 383.53 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 133203978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).