1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide

C18H26FN3O2 — CID 119291047

IUPAC1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C18H26FN3O2/c1-2-22(17(24)18(20)10-4-3-5-11-18)13-16(23)21-12-14-6-8-15(19)9-7-14/h6-9H,2-5,10-13,20H2,1H3,(H,21,23)
InChIKeyYCDBMODDZCYSNP-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.95
Rot. Bonds6

About 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide

1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 119291047) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID119291047
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1(N)CCCCC1
InChIInChI=1S/C18H26FN3O2/c1-2-22(17(24)18(20)10-4-3-5-11-18)13-16(23)21-12-14-6-8-15(19)9-7-14/h6-9H,2-5,10-13,20H2,1H3,(H,21,23)
InChIKeyYCDBMODDZCYSNP-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclopropane-1-carboxamide
CID 55874805
(2S)-2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide;hydrochloride
CID 119266584
1-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethylcyclopentane-1-carboxamide;hydrochloride
CID 119266618
N,N-diethyl-1-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]cyclohexane-1-carboxamide
CID 55980445
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
3-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 119726485
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119291035
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119291044
1-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 65465097
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pentanamide;hydrochloride
CID 119266596
5-bromo-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 27821732
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide (CID 119291047) is 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is YCDBMODDZCYSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-2-22(17(24)18(20)10-4-3-5-11-18)13-16(23)21-12-14-6-8-15(19)9-7-14/h6-9H,2-5,10-13,20H2,1H3,(H,21,23).
What are the key properties of 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide?
1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119291047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).