N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide

C17H25ClN2O — CID 9265296

IUPACN-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
SMILESO=C(CNC1CCCCCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c18-15-10-8-14(9-11-15)12-20-17(21)13-19-16-6-4-2-1-3-5-7-16/h8-11,16,19H,1-7,12-13H2,(H,20,21)
InChIKeyHCZORXNNUNUIKJ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.66
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide

N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide (PubChem CID 9265296) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
PubChem CID9265296
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
SMILESO=C(CNC1CCCCCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c18-15-10-8-14(9-11-15)12-20-17(21)13-19-16-6-4-2-1-3-5-7-16/h8-11,16,19H,1-7,12-13H2,(H,20,21)
InChIKeyHCZORXNNUNUIKJ-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 108993564
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
2-(cyclopentylamino)-N-(furan-3-ylmethyl)acetamide
CID 115746985
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384695
2-(cyclohexylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 108993563
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411
1-[(4-chlorophenyl)methyl]-3-cyclooctylthiourea
CID 19650547
1-[(4-chlorophenyl)methyl]-3-cyclododecylthiourea
CID 19652517

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide (CID 9265296) is N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide is O=C(CNC1CCCCCCC1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide?
The InChIKey is HCZORXNNUNUIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-15-10-8-14(9-11-15)12-20-17(21)13-19-16-6-4-2-1-3-5-7-16/h8-11,16,19H,1-7,12-13H2,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide?
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide has a molecular weight of 308.85 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide is sourced from PubChem (CID 9265296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).