N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide

C19H28N2O3 — CID 113060920

IUPACN-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(C)cc1N(CCNC(=O)C1CCCCC1)C(C)=O
InChIInChI=1S/C19H28N2O3/c1-14-9-10-18(24-3)17(13-14)21(15(2)22)12-11-20-19(23)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,20,23)
InChIKeyNLHVLPZNPWGEIE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.05
Rot. Bonds6

About N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide

N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide (PubChem CID 113060920) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide
PubChem CID113060920
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(C)cc1N(CCNC(=O)C1CCCCC1)C(C)=O
InChIInChI=1S/C19H28N2O3/c1-14-9-10-18(24-3)17(13-14)21(15(2)22)12-11-20-19(23)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,20,23)
InChIKeyNLHVLPZNPWGEIE-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-ethylanilino)ethyl]cyclohexanecarboxamide
CID 113058289
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]-4-(trifluoromethyl)benzamide
CID 113060962
N-[2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]ethyl]cyclobutanecarboxamide
CID 113056225
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113129540
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
N-(2-methoxy-5-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129537
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538
1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113070684

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide (CID 113060920) is N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide is COc1ccc(C)cc1N(CCNC(=O)C1CCCCC1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is NLHVLPZNPWGEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-9-10-18(24-3)17(13-14)21(15(2)22)12-11-20-19(23)16-7-5-4-6-8-16/h9-10,13,16H,4-8,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide?
N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-methoxy-5-methylanilino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113060920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).