N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

C19H27N3O3 — CID 17424471

IUPACN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C19H27N3O3/c1-13-7-6-8-14(2)18(13)22-17(24)12-20-16(23)11-21-19(25)15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyXXDQOBHQRDSLDD-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.05
Rot. Bonds6

About N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 17424471) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID17424471
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C19H27N3O3/c1-13-7-6-8-14(2)18(13)22-17(24)12-20-16(23)11-21-19(25)15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyXXDQOBHQRDSLDD-UHFFFAOYSA-N
XLogP2.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17400491
N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide
CID 8894549
2-(cyclopropylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide
CID 8790894
cyclooctyl-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9265308
N-(2-amino-6-methylphenyl)cyclohexanecarboxamide
CID 43152327
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55522001
cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 2394747
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430473
(2R)-2-(azepan-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032994

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide (CID 17424471) is N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is Cc1cccc(C)c1NC(=O)CNC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is XXDQOBHQRDSLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-7-6-8-14(2)18(13)22-17(24)12-20-16(23)11-21-19(25)15-9-4-3-5-10-15/h6-8,15H,3-5,9-12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 17424471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).