trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide

C23H31NO3 — CID 100762900

IUPACtrans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c2ccccc12
InChIInChI=1S/C23H31NO3/c1-4-15-26-21-13-12-20(18-10-6-7-11-19(18)21)24-22(25)23(27-5-2)14-8-9-17(3)16-23/h6-7,10-13,17H,4-5,8-9,14-16H2,1-3H3,(H,24,25)/t17-,23+/m1/s1
InChIKeyGWOUWIVKAQZEEG-HXOBKFHXSA-N
MW369.51 g/mol
LogP5.55
Rot. Bonds7

About trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide

trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide (PubChem CID 100762900) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
PubChem CID100762900
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Nametrans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
SMILESCCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c2ccccc12
InChIInChI=1S/C23H31NO3/c1-4-15-26-21-13-12-20(18-10-6-7-11-19(18)21)24-22(25)23(27-5-2)14-8-9-17(3)16-23/h6-7,10-13,17H,4-5,8-9,14-16H2,1-3H3,(H,24,25)/t17-,23+/m1/s1
InChIKeyGWOUWIVKAQZEEG-HXOBKFHXSA-N
XLogP5.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205462
trans-(1S,3R)-1-methoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757495
trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100762995
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
1-methoxy-4-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757809
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
methyl 5-[[(1R,3R)-1-ethoxy-3-methylcyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100762284
N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205967
ethyl 5-[[(1S,3S)-3-methyl-1-propoxycyclohexanecarbonyl]amino]-2-propoxybenzoate
CID 100767818
trans-(1S,3R)-N-(4-butoxy-2-cyanophenyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100762745
N-(4-butan-2-yloxynaphthalen-1-yl)-1-ethoxy-4-methylcyclohexane-1-carboxamide
CID 133203978

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide (CID 100762900) is trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide is CCCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c2ccccc12.
What is the InChIKey of trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide?
The InChIKey is GWOUWIVKAQZEEG-HXOBKFHXSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-15-26-21-13-12-20(18-10-6-7-11-19(18)21)24-22(25)23(27-5-2)14-8-9-17(3)16-23/h6-7,10-13,17H,4-5,8-9,14-16H2,1-3H3,(H,24,25)/t17-,23+/m1/s1.
What are the key properties of trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide?
trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100762900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).