N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide

C18H27FN2O — CID 120651377

IUPACN-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C18H27FN2O/c1-3-20-14(2)13-21-17(22)18(10-5-4-6-11-18)15-8-7-9-16(19)12-15/h7-9,12,14,20H,3-6,10-11,13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyFWQQNCYIZRUDGE-CQSZACIVSA-N
MW306.43 g/mol
LogP3.14
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide

N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide (PubChem CID 120651377) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
PubChem CID120651377
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C18H27FN2O/c1-3-20-14(2)13-21-17(22)18(10-5-4-6-11-18)15-8-7-9-16(19)12-15/h7-9,12,14,20H,3-6,10-11,13H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyFWQQNCYIZRUDGE-CQSZACIVSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120652825
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550
3-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]-2-methylpropanoic acid
CID 119237684
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
1-(3-fluorophenyl)-N-[(1-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 111445692
1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
CID 111791814
1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide (CID 120651377) is N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide is CCN[C@H](C)CNC(=O)C1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide?
The InChIKey is FWQQNCYIZRUDGE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-3-20-14(2)13-21-17(22)18(10-5-4-6-11-18)15-8-7-9-16(19)12-15/h7-9,12,14,20H,3-6,10-11,13H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-(3-fluorophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 120651377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).