N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide

C17H24FN3O2 — CID 18291247

IUPACN-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide
SMILESNC(=O)NC(=O)CCN(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C17H24FN3O2/c18-14-8-6-13(7-9-14)12-21(15-4-2-1-3-5-15)11-10-16(22)20-17(19)23/h6-9,15H,1-5,10-12H2,(H3,19,20,22,23)
InChIKeyUGMJYYNXTLZGAZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.55
Rot. Bonds6

About N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide

N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide (PubChem CID 18291247) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide
PubChem CID18291247
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide
SMILESNC(=O)NC(=O)CCN(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C17H24FN3O2/c18-14-8-6-13(7-9-14)12-21(15-4-2-1-3-5-15)11-10-16(22)20-17(19)23/h6-9,15H,1-5,10-12H2,(H3,19,20,22,23)
InChIKeyUGMJYYNXTLZGAZ-UHFFFAOYSA-N
XLogP2.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
3-[benzyl(cyclohexyl)amino]propanoic acid
CID 82327522
N-carbamoyl-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102676860
methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
N-(3-cyanothiophen-2-yl)-3-[cyclopropyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 18088734
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide
CID 8684133
3-[(4-carbamoylphenyl)methyl-cyclopropylamino]propanoic acid
CID 60840216
N-carbamoyl-3-(4-fluoro-N-methylanilino)propanamide
CID 47057182
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 59862645
2-[[4-(aminomethyl)phenyl]methyl-cyclohexylamino]ethanol
CID 54993281

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide?
The IUPAC name of N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide (CID 18291247) is N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide?
The canonical SMILES for N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide is NC(=O)NC(=O)CCN(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide?
The InChIKey is UGMJYYNXTLZGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-8-6-13(7-9-14)12-21(15-4-2-1-3-5-15)11-10-16(22)20-17(19)23/h6-9,15H,1-5,10-12H2,(H3,19,20,22,23).
What are the key properties of N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide?
N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide has a molecular weight of 321.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[cyclohexyl-[(4-fluorophenyl)methyl]amino]propanamide is sourced from PubChem (CID 18291247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).