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

C16H25ClN2O — CID 115325803

IUPACN-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCCCCC(C)C
InChIInChI=1S/C16H25ClN2O/c1-12(2)6-4-5-9-18-11-16(20)19-15-10-14(17)8-7-13(15)3/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyRMEDMDQTFCHHHU-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.00
Rot. Bonds8

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

N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide (PubChem CID 115325803) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
PubChem CID115325803
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CNCCCCC(C)C
InChIInChI=1S/C16H25ClN2O/c1-12(2)6-4-5-9-18-11-16(20)19-15-10-14(17)8-7-13(15)3/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,19,20)
InChIKeyRMEDMDQTFCHHHU-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(7-methyloctylamino)-N-(2-methylphenyl)acetamide
CID 103604920
N-(5-chloro-2-methylphenyl)-2-(hex-5-ynylamino)acetamide
CID 106211851
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018
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
N-(5-chloro-2-methylphenyl)-2-(2-chloroprop-2-enylamino)acetamide
CID 113268604
N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
CID 103601419
N-(5-chloro-2-methylphenyl)-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetamide
CID 79352093
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 115745425
N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide
CID 103603858

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide (CID 115325803) is N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide is Cc1ccc(Cl)cc1NC(=O)CNCCCCC(C)C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide?
The InChIKey is RMEDMDQTFCHHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-12(2)6-4-5-9-18-11-16(20)19-15-10-14(17)8-7-13(15)3/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide?
N-(5-chloro-2-methylphenyl)-2-(5-methylhexylamino)acetamide has a molecular weight of 296.84 g/mol, XLogP of 4.00, 8 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-(5-methylhexylamino)acetamide is sourced from PubChem (CID 115325803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).