N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide

C19H27FN4O3 — CID 17427442

IUPACN-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H27FN4O3/c1-13(18(26)23-19(27)22-15-6-4-3-5-7-15)24(2)12-17(25)21-16-10-8-14(20)9-11-16/h8-11,13,15H,3-7,12H2,1-2H3,(H,21,25)(H2,22,23,26,27)
InChIKeySKUNCVXOXBAXOL-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.24
Rot. Bonds6

About N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide

N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 17427442) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID17427442
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC NameN-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCC(C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H27FN4O3/c1-13(18(26)23-19(27)22-15-6-4-3-5-7-15)24(2)12-17(25)21-16-10-8-14(20)9-11-16/h8-11,13,15H,3-7,12H2,1-2H3,(H,21,25)(H2,22,23,26,27)
InChIKeySKUNCVXOXBAXOL-UHFFFAOYSA-N
XLogP2.24
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 9222589
N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
N-(cyclopentylcarbamoyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46561956
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 40817156
N-(cyclopentylcarbamoyl)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 46630518
(2R)-N-(cyclohexylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]propanamide
CID 9251729
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)propanamide
CID 9053403
2-[(2-anilino-2-oxoethyl)-methylamino]-N-cyclohexylpropanamide
CID 86979720
(2R)-N-(cyclohexylcarbamoyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 9053534
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9252868
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
N-cyclopropyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 17457194

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide (CID 17427442) is N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide is CC(C(=O)NC(=O)NC1CCCCC1)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is SKUNCVXOXBAXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-13(18(26)23-19(27)22-15-6-4-3-5-7-15)24(2)12-17(25)21-16-10-8-14(20)9-11-16/h8-11,13,15H,3-7,12H2,1-2H3,(H,21,25)(H2,22,23,26,27).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide?
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 378.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 17427442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).