N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide

C22H29NO3 — CID 100767338

IUPACN-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OCC)c3ccccc23)CCCCC1
InChIInChI=1S/C22H29NO3/c1-3-16-26-22(14-8-5-9-15-22)21(24)23-19-12-13-20(25-4-2)18-11-7-6-10-17(18)19/h6-7,10-13H,3-5,8-9,14-16H2,1-2H3,(H,23,24)
InChIKeyXGRGBHKHBLTQQP-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.31
Rot. Bonds7

About N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide

N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide (PubChem CID 100767338) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
PubChem CID100767338
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
SMILESCCCOC1(C(=O)Nc2ccc(OCC)c3ccccc23)CCCCC1
InChIInChI=1S/C22H29NO3/c1-3-16-26-22(14-8-5-9-15-22)21(24)23-19-12-13-20(25-4-2)18-11-7-6-10-17(18)19/h6-7,10-13H,3-5,8-9,14-16H2,1-2H3,(H,23,24)
InChIKeyXGRGBHKHBLTQQP-UHFFFAOYSA-N
XLogP5.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-yloxynaphthalen-1-yl)-1-propoxycycloheptane-1-carboxamide
CID 133205425
N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205462
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-ethoxycyclopentane-1-carboxamide
CID 100761838
trans-(1S,3R)-1-methoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757495
1-methoxy-4-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757809
cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768346
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
methyl 2-ethoxy-5-[(1-propoxycyclopentanecarbonyl)amino]benzoate
CID 100766696
1-(3-methylphenyl)-N-(4-propoxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100720091
1-methoxy-N-(4-propan-2-yloxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100756429
trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100762995

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide (CID 100767338) is N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide is CCCOC1(C(=O)Nc2ccc(OCC)c3ccccc23)CCCCC1.
What is the InChIKey of N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide?
The InChIKey is XGRGBHKHBLTQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-3-16-26-22(14-8-5-9-15-22)21(24)23-19-12-13-20(25-4-2)18-11-7-6-10-17(18)19/h6-7,10-13H,3-5,8-9,14-16H2,1-2H3,(H,23,24).
What are the key properties of N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide?
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100767338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).