2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

C18H27FN2O2 — CID 110923577

IUPAC2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(O)CN(CC(=O)NCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H27FN2O2/c1-14(22)12-21(16-8-3-2-4-9-16)13-18(23)20-11-15-7-5-6-10-17(15)19/h5-7,10,14,16,22H,2-4,8-9,11-13H2,1H3,(H,20,23)
InChIKeyRIVDOGBDANZWPB-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.46
Rot. Bonds7

About 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide

2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 110923577) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID110923577
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(O)CN(CC(=O)NCc1ccccc1F)C1CCCCC1
InChIInChI=1S/C18H27FN2O2/c1-14(22)12-21(16-8-3-2-4-9-16)13-18(23)20-11-15-7-5-6-10-17(15)19/h5-7,10,14,16,22H,2-4,8-9,11-13H2,1H3,(H,20,23)
InChIKeyRIVDOGBDANZWPB-UHFFFAOYSA-N
XLogP2.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 51108334
3-[cyclopropyl-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60838363
2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
N-[(2-fluorophenyl)methyl]-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148460
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
methyl 3-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 60966267
2-[cyclohexyl-[(2S)-2-hydroxypropyl]amino]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 98761112
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18105806

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide (CID 110923577) is 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is CC(O)CN(CC(=O)NCc1ccccc1F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is RIVDOGBDANZWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-14(22)12-21(16-8-3-2-4-9-16)13-18(23)20-11-15-7-5-6-10-17(15)19/h5-7,10,14,16,22H,2-4,8-9,11-13H2,1H3,(H,20,23).
What are the key properties of 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide?
2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 322.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 110923577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).