N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide

C16H25ClN2O2 — CID 106115436

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide
SMILESCCCC(CCO)CNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C16H25ClN2O2/c1-3-4-13(7-8-20)10-18-11-16(21)19-15-9-14(17)6-5-12(15)2/h5-6,9,13,18,20H,3-4,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyQXJKQPIWYCEWKL-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.98
Rot. Bonds9

About N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide

N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide (PubChem CID 106115436) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide
PubChem CID106115436
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide
SMILESCCCC(CCO)CNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C16H25ClN2O2/c1-3-4-13(7-8-20)10-18-11-16(21)19-15-9-14(17)6-5-12(15)2/h5-6,9,13,18,20H,3-4,7-8,10-11H2,1-2H3,(H,19,21)
InChIKeyQXJKQPIWYCEWKL-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
CID 103601419
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174844
2-[2-(2-hydroxyethyl)pentylamino]-N-phenylacetamide
CID 106115428
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide
CID 106115065
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide (CID 106115436) is N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide is CCCC(CCO)CNCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide?
The InChIKey is QXJKQPIWYCEWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-3-4-13(7-8-20)10-18-11-16(21)19-15-9-14(17)6-5-12(15)2/h5-6,9,13,18,20H,3-4,7-8,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide has a molecular weight of 312.84 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide is sourced from PubChem (CID 106115436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).