3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

C19H27FN4O3 — CID 18146673

IUPAC3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C19H27FN4O3/c1-24(13-17(25)22-16-9-7-14(20)8-10-16)18(26)11-12-21-19(27)23-15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,22,25)(H2,21,23,27)
InChIKeyOSTVODRPDCEVCB-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.24
Rot. Bonds7

About 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 18146673) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID18146673
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C19H27FN4O3/c1-24(13-17(25)22-16-9-7-14(20)8-10-16)18(26)11-12-21-19(27)23-15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,22,25)(H2,21,23,27)
InChIKeyOSTVODRPDCEVCB-UHFFFAOYSA-N
XLogP2.24
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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 ≤ 103

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Related Compounds

3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9426932
N-(cyclohexylcarbamoyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 17427442
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-[(2-chloro-6-fluorophenyl)methyl]-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 18152189
N-[3-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9440821
4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide
CID 55714103
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
N-cyclopentyl-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 27171227
N-cyclopropyl-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 18196271
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-(1,3-benzodioxol-5-ylmethyl)-3-(cyclohexylcarbamoylamino)-N-methylpropanamide
CID 16614852
3-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (CID 18146673) is 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is OSTVODRPDCEVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-24(13-17(25)22-16-9-7-14(20)8-10-16)18(26)11-12-21-19(27)23-15-5-3-2-4-6-15/h7-10,15H,2-6,11-13H2,1H3,(H,22,25)(H2,21,23,27).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 378.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 18146673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).