2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide

C19H29N3O2 — CID 86911442

IUPAC2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NCC(=O)NC1CCCCC1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-21-19(24)16-10-6-7-11-17(16)20-13-18(23)22-15-8-4-3-5-9-15/h6-7,10-11,14-15,20H,3-5,8-9,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJYFBZGNWZOXUQT-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.93
Rot. Bonds7

About 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 86911442) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID86911442
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccccc1NCC(=O)NC1CCCCC1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-21-19(24)16-10-6-7-11-17(16)20-13-18(23)22-15-8-4-3-5-9-15/h6-7,10-11,14-15,20H,3-5,8-9,12-13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyJYFBZGNWZOXUQT-UHFFFAOYSA-N
XLogP2.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 86930985
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41084647
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cycloheptyl-2-(2-ethylanilino)acetamide
CID 60631370
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 62168218
N-cyclooctyl-2-[2-(3,5-dimethylpiperidine-1-carbonyl)anilino]acetamide
CID 112822832
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide (CID 86911442) is 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccccc1NCC(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is JYFBZGNWZOXUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)12-21-19(24)16-10-6-7-11-17(16)20-13-18(23)22-15-8-4-3-5-9-15/h6-7,10-11,14-15,20H,3-5,8-9,12-13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 331.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 86911442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).