3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide

C25H32FN3O2 — CID 18124761

IUPAC3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCN(CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)Cc1ccccc1
InChIInChI=1S/C25H32FN3O2/c26-22-13-11-21(12-14-22)18-29(23-9-5-2-6-10-23)25(31)19-28(16-15-24(27)30)17-20-7-3-1-4-8-20/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15-19H2,(H2,27,30)
InChIKeyZTRZHZNLVJRALU-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.86
Rot. Bonds10

About 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide

3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide (PubChem CID 18124761) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
PubChem CID18124761
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCN(CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)Cc1ccccc1
InChIInChI=1S/C25H32FN3O2/c26-22-13-11-21(12-14-22)18-29(23-9-5-2-6-10-23)25(31)19-28(16-15-24(27)30)17-20-7-3-1-4-8-20/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15-19H2,(H2,27,30)
InChIKeyZTRZHZNLVJRALU-UHFFFAOYSA-N
XLogP3.86
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
CID 112795625
3-[(2-amino-2-oxoethyl)-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82326758
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
3-[benzyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82327653
3-[benzyl-[(2-cyclohexylpyrimidin-5-yl)methyl]amino]propanamide
CID 91794453
7-amino-N-benzyl-N-cyclohexylheptanamide
CID 119729560
N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
CID 52675045
2-[[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 60500084
N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 99668408

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide (CID 18124761) is 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide is NC(=O)CCN(CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide?
The InChIKey is ZTRZHZNLVJRALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c26-22-13-11-21(12-14-22)18-29(23-9-5-2-6-10-23)25(31)19-28(16-15-24(27)30)17-20-7-3-1-4-8-20/h1,3-4,7-8,11-14,23H,2,5-6,9-10,15-19H2,(H2,27,30).
What are the key properties of 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide?
3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide has a molecular weight of 425.55 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 18124761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).