N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide

C19H29NO3 — CID 100730341

IUPACN-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1
InChIInChI=1S/C19H29NO3/c1-3-5-15-22-17-11-9-16(10-12-17)20-18(21)19(23-4-2)13-7-6-8-14-19/h9-12H,3-8,13-15H2,1-2H3,(H,20,21)
InChIKeyMQVGNVBVHNXUCS-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.54
Rot. Bonds8

About N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide

N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide (PubChem CID 100730341) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
PubChem CID100730341
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC NameN-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
SMILESCCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1
InChIInChI=1S/C19H29NO3/c1-3-5-15-22-17-11-9-16(10-12-17)20-18(21)19(23-4-2)13-7-6-8-14-19/h9-12H,3-8,13-15H2,1-2H3,(H,20,21)
InChIKeyMQVGNVBVHNXUCS-UHFFFAOYSA-N
XLogP4.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.54
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

N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
CID 100730652
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731388
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729763
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100713205
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731226
1-ethoxy-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730558
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100713755
1-ethoxy-N-(4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 100729464
N-(4-methoxyphenyl)-1-propoxycycloheptane-1-carboxamide
CID 100713654

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide?
The IUPAC name of N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide (CID 100730341) is N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide is CCCCOc1ccc(NC(=O)C2(OCC)CCCCC2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide?
The InChIKey is MQVGNVBVHNXUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-5-15-22-17-11-9-16(10-12-17)20-18(21)19(23-4-2)13-7-6-8-14-19/h9-12H,3-8,13-15H2,1-2H3,(H,20,21).
What are the key properties of N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide?
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100730341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).