3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide

C18H25F2N3O2 — CID 18146670

IUPAC3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCNC(=O)NC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H25F2N3O2/c1-12(13-7-8-15(19)16(20)11-13)22-17(24)9-10-21-18(25)23-14-5-3-2-4-6-14/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyHIJLQGGYVIRNBM-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.16
Rot. Bonds6

About 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide (PubChem CID 18146670) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
PubChem CID18146670
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide
SMILESCC(NC(=O)CCNC(=O)NC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H25F2N3O2/c1-12(13-7-8-15(19)16(20)11-13)22-17(24)9-10-21-18(25)23-14-5-3-2-4-6-14/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyHIJLQGGYVIRNBM-UHFFFAOYSA-N
XLogP3.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 16614862
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(cyclohexylcarbamoylamino)propanamide
CID 18152940
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
4-(cyclohexylcarbamoylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 16621291
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 48955301

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide (CID 18146670) is 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide is CC(NC(=O)CCNC(=O)NC1CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
The InChIKey is HIJLQGGYVIRNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-12(13-7-8-15(19)16(20)11-13)22-17(24)9-10-21-18(25)23-14-5-3-2-4-6-14/h7-8,11-12,14H,2-6,9-10H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide has a molecular weight of 353.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[1-(3,4-difluorophenyl)ethyl]propanamide is sourced from PubChem (CID 18146670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).