N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide

C25H35NO3 — CID 133205462

IUPACN-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OCCC)CCCC(C)C2)c2ccccc12
InChIInChI=1S/C25H35NO3/c1-4-6-17-28-23-14-13-22(20-11-7-8-12-21(20)23)26-24(27)25(29-16-5-2)15-9-10-19(3)18-25/h7-8,11-14,19H,4-6,9-10,15-18H2,1-3H3,(H,26,27)
InChIKeyRSIIYVWIZUCOKQ-UHFFFAOYSA-N
MW397.56 g/mol
LogP6.33
Rot. Bonds9

About N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide

N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide (PubChem CID 133205462) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
PubChem CID133205462
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC NameN-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OCCC)CCCC(C)C2)c2ccccc12
InChIInChI=1S/C25H35NO3/c1-4-6-17-28-23-14-13-22(20-11-7-8-12-21(20)23)26-24(27)25(29-16-5-2)15-9-10-19(3)18-25/h7-8,11-14,19H,4-6,9-10,15-18H2,1-3H3,(H,26,27)
InChIKeyRSIIYVWIZUCOKQ-UHFFFAOYSA-N
XLogP6.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,3R)-1-ethoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100762900
trans-(1S,3R)-1-methoxy-3-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757495
cis-(1R,3R)-N-[4-[(2R)-butan-2-yl]oxynaphthalen-1-yl]-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768346
trans-(1R,3S)-1-ethoxy-3-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100762995
N-(6-butoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205969
N-(4-ethoxynaphthalen-1-yl)-1-propoxycyclohexane-1-carboxamide
CID 100767338
cis-(1R,3R)-N-[4-[(2S)-butan-2-yl]oxynaphthalen-1-yl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100762964
1-methoxy-4-methyl-N-(4-propoxynaphthalen-1-yl)cyclohexane-1-carboxamide
CID 100757809
trans-(1S,3R)-N-(6-butoxy-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100778472
N-(6-ethoxy-2-methyl-3-pyridinyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 133205967
cis-(1S,3S)-3-methyl-1-propoxy-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 100714327
cis-(1R,3R)-N-(2-cyano-4-propoxyphenyl)-3-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768083

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The IUPAC name of N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide (CID 133205462) is N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(OCCC)CCCC(C)C2)c2ccccc12.
What is the InChIKey of N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
The InChIKey is RSIIYVWIZUCOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-4-6-17-28-23-14-13-22(20-11-7-8-12-21(20)23)26-24(27)25(29-16-5-2)15-9-10-19(3)18-25/h7-8,11-14,19H,4-6,9-10,15-18H2,1-3H3,(H,26,27).
What are the key properties of N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide?
N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxynaphthalen-1-yl)-3-methyl-1-propoxycyclohexane-1-carboxamide is sourced from PubChem (CID 133205462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).