N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide

C17H27ClN2O — CID 103601419

IUPACN-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
SMILESCCCCC(CC)CNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H27ClN2O/c1-4-6-7-14(5-2)11-19-12-17(21)20-16-10-15(18)9-8-13(16)3/h8-10,14,19H,4-7,11-12H2,1-3H3,(H,20,21)
InChIKeyGOPWFEGFGLVYJJ-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.39
Rot. Bonds9

About N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide

N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide (PubChem CID 103601419) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
PubChem CID103601419
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
SMILESCCCCC(CC)CNCC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H27ClN2O/c1-4-6-7-14(5-2)11-19-12-17(21)20-16-10-15(18)9-8-13(16)3/h8-10,14,19H,4-7,11-12H2,1-3H3,(H,20,21)
InChIKeyGOPWFEGFGLVYJJ-UHFFFAOYSA-N
XLogP4.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)pentylamino]acetamide
CID 106115436
(2R)-4-(5-chloro-2-methylanilino)-2-[[(2S)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7591787
(2S)-4-(5-chloro-2-methylanilino)-2-[[(2R)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7591781
(2S)-4-(5-chloro-2-methylanilino)-2-[[(2S)-2-ethylhexyl]amino]-4-oxobutanoic acid
CID 7591783
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174844
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
CID 115325803
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]pentanamide
CID 112997994
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(4-chloro-2-methylphenyl)-2-(pentylamino)acetamide
CID 109005960
N-(5-chloro-2-methylphenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61165845

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide (CID 103601419) is N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide is CCCCC(CC)CNCC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide?
The InChIKey is GOPWFEGFGLVYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-6-7-14(5-2)11-19-12-17(21)20-16-10-15(18)9-8-13(16)3/h8-10,14,19H,4-7,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide has a molecular weight of 310.87 g/mol, XLogP of 4.39, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide is sourced from PubChem (CID 103601419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).