N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide

C24H31FN2O2 — CID 55539130

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCN(CC)C(CNC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(OC)c1
InChIInChI=1S/C24H31FN2O2/c1-4-27(5-2)22(18-8-6-9-21(16-18)29-3)17-26-23(28)24(14-7-15-24)19-10-12-20(25)13-11-19/h6,8-13,16,22H,4-5,7,14-15,17H2,1-3H3,(H,26,28)
InChIKeyVPIABRLGLRIBBX-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.46
Rot. Bonds9

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 55539130) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID55539130
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCN(CC)C(CNC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(OC)c1
InChIInChI=1S/C24H31FN2O2/c1-4-27(5-2)22(18-8-6-9-21(16-18)29-3)17-26-23(28)24(14-7-15-24)19-10-12-20(25)13-11-19/h6,8-13,16,22H,4-5,7,14-15,17H2,1-3H3,(H,26,28)
InChIKeyVPIABRLGLRIBBX-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 95268454
1-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119837675
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 134057340
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
3-[[1-(3-methoxyphenyl)cyclopentanecarbonyl]amino]-2-phenylpropanoic acid
CID 119255048
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 55526819
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide (CID 55539130) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide is CCN(CC)C(CNC(=O)C1(c2ccc(F)cc2)CCC1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is VPIABRLGLRIBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-4-27(5-2)22(18-8-6-9-21(16-18)29-3)17-26-23(28)24(14-7-15-24)19-10-12-20(25)13-11-19/h6,8-13,16,22H,4-5,7,14-15,17H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 398.52 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 55539130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).