N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide

C17H25FN2O — CID 81352151

IUPACN-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-13(14-7-6-8-15(18)11-14)19-12-17(21)20-16-9-4-2-3-5-10-16/h6-8,11,13,16,19H,2-5,9-10,12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyXYBBESFJRKSQDB-CYBMUJFWSA-N
MW292.40 g/mol
LogP3.32
Rot. Bonds5

About N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide

N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide (PubChem CID 81352151) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
PubChem CID81352151
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)NC1CCCCCC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-13(14-7-6-8-15(18)11-14)19-12-17(21)20-16-9-4-2-3-5-10-16/h6-8,11,13,16,19H,2-5,9-10,12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyXYBBESFJRKSQDB-CYBMUJFWSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81371801
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
N-cycloheptyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 63867372
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
N-cycloheptyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60673176
2-[[(1R)-1-(3-methylphenyl)ethyl]amino]-N-(oxan-4-yl)acetamide
CID 81361124
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81359177
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
2-[1-(3-chlorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63098158
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide (CID 81352151) is N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)NC1CCCCCC1)c1cccc(F)c1.
What is the InChIKey of N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide?
The InChIKey is XYBBESFJRKSQDB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(14-7-6-8-15(18)11-14)19-12-17(21)20-16-9-4-2-3-5-10-16/h6-8,11,13,16,19H,2-5,9-10,12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide?
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide has a molecular weight of 292.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81352151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).