N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide

C23H38N2O3 — CID 100731388

IUPACN-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCCCCC1
InChIInChI=1S/C23H38N2O3/c1-4-25(5-2)18-11-19-27-21-14-12-20(13-15-21)24-22(26)23(28-6-3)16-9-7-8-10-17-23/h12-15H,4-11,16-19H2,1-3H3,(H,24,26)
InChIKeyAITBGVUHWFRJCK-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.87
Rot. Bonds11

About N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide

N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide (PubChem CID 100731388) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
PubChem CID100731388
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC NameN-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide
SMILESCCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCCCCC1
InChIInChI=1S/C23H38N2O3/c1-4-25(5-2)18-11-19-27-21-14-12-20(13-15-21)24-22(26)23(28-6-3)16-9-7-8-10-17-23/h12-15H,4-11,16-19H2,1-3H3,(H,24,26)
InChIKeyAITBGVUHWFRJCK-UHFFFAOYSA-N
XLogP4.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.87
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-ethoxycyclohexane-1-carboxamide
CID 100730652
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729763
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341
N-[4-[3-(dimethylamino)propoxy]phenyl]-1-propoxycyclohexane-1-carboxamide
CID 100713205
N-[4-[2-(diethylamino)ethoxy]phenyl]-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 133246817
N-[4-[3-(diethylamino)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658332
1-ethoxy-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100729423
N-[4-[3-(diethylamino)propoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673292
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
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-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide?
The IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide (CID 100731388) is N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide?
The canonical SMILES for N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide is CCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCCCCC1.
What is the InChIKey of N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide?
The InChIKey is AITBGVUHWFRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-4-25(5-2)18-11-19-27-21-14-12-20(13-15-21)24-22(26)23(28-6-3)16-9-7-8-10-17-23/h12-15H,4-11,16-19H2,1-3H3,(H,24,26).
What are the key properties of N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide?
N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide has a molecular weight of 390.57 g/mol, XLogP of 4.87, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(diethylamino)propoxy]phenyl]-1-ethoxycycloheptane-1-carboxamide is sourced from PubChem (CID 100731388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).