1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide

C21H27NO3 — CID 100756429

IUPAC1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCCC1
InChIInChI=1S/C21H27NO3/c1-15(2)25-19-12-11-18(16-9-5-6-10-17(16)19)22-20(23)21(24-3)13-7-4-8-14-21/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,22,23)
InChIKeyGSGNDZRCINKEKC-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.91
Rot. Bonds5

About 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide

1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide (PubChem CID 100756429) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
PubChem CID100756429
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCCC1
InChIInChI=1S/C21H27NO3/c1-15(2)25-19-12-11-18(16-9-5-6-10-17(16)19)22-20(23)21(24-3)13-7-4-8-14-21/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,22,23)
InChIKeyGSGNDZRCINKEKC-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434
N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxycyclopentane-1-carboxamide
CID 100761838
N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
CID 133205425
1-(2,4-dichlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100747375
trans-(1R,3S)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100775604
trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100775596
1-methoxy-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclopentane-1-carboxamide
CID 100775150
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
4-(2-chlorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100749545
4-(2-fluorophenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)oxane-4-carboxamide
CID 100748983
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705167

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide (CID 100756429) is 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide is COC1(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CCCCC1.
What is the InChIKey of 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The InChIKey is GSGNDZRCINKEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(2)25-19-12-11-18(16-9-5-6-10-17(16)19)22-20(23)21(24-3)13-7-4-8-14-21/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,22,23).
What are the key properties of 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide?
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100756429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).