N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide

C20H32N2O3 — CID 100730652

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCCCC1
InChIInChI=1S/C20H32N2O3/c1-4-25-20(13-6-5-7-14-20)19(23)21-17-9-11-18(12-10-17)24-16-8-15-22(2)3/h9-12H,4-8,13-16H2,1-3H3,(H,21,23)
InChIKeySSKHZTIIVBTDEZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.69
Rot. Bonds9

About N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide (PubChem CID 100730652) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
PubChem CID100730652
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCCCC1
InChIInChI=1S/C20H32N2O3/c1-4-25-20(13-6-5-7-14-20)19(23)21-17-9-11-18(12-10-17)24-16-8-15-22(2)3/h9-12H,4-8,13-16H2,1-3H3,(H,21,23)
InChIKeySSKHZTIIVBTDEZ-UHFFFAOYSA-N
XLogP3.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxycyclopentane-1-carboxamide
CID 100729763
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100713205
N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
CID 100731388
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
trans-(1S,3R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100732389
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N-(4-ethoxyphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712217
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
1-ethoxy-N-(4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100731226
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658314
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 100674265
1-ethoxy-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]cyclohexane-1-carboxamide
CID 100730558

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide (CID 100730652) is N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OCCCN(C)C)cc2)CCCCC1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide?
The InChIKey is SSKHZTIIVBTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-25-20(13-6-5-7-14-20)19(23)21-17-9-11-18(12-10-17)24-16-8-15-22(2)3/h9-12H,4-8,13-16H2,1-3H3,(H,21,23).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclohexane-1-carboxamide is sourced from PubChem (CID 100730652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).