3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide

C17H26N2O3 — CID 110002708

IUPAC3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NC(C)(CC)CCO)c1
InChIInChI=1S/C17H26N2O3/c1-5-17(3,10-11-20)18-15(21)13-8-7-9-14(12-13)16(22)19(4)6-2/h7-9,12,20H,5-6,10-11H2,1-4H3,(H,18,21)
InChIKeyGDHGRKYBUIDWRX-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.06
Rot. Bonds7

About 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide

3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 110002708) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID110002708
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NC(C)(CC)CCO)c1
InChIInChI=1S/C17H26N2O3/c1-5-17(3,10-11-20)18-15(21)13-8-7-9-14(12-13)16(22)19(4)6-2/h7-9,12,20H,5-6,10-11H2,1-4H3,(H,18,21)
InChIKeyGDHGRKYBUIDWRX-UHFFFAOYSA-N
XLogP2.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
N-(1-hydroxy-3-methylpentan-3-yl)-3-methylsulfonylbenzamide
CID 103945844
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119576009
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-amino-3-methylpentan-3-yl)-3-hydroxybenzamide
CID 106164117

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide (CID 110002708) is 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide is CCN(C)C(=O)c1cccc(C(=O)NC(C)(CC)CCO)c1.
What is the InChIKey of 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is GDHGRKYBUIDWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-17(3,10-11-20)18-15(21)13-8-7-9-14(12-13)16(22)19(4)6-2/h7-9,12,20H,5-6,10-11H2,1-4H3,(H,18,21).
What are the key properties of 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide?
3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 110002708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).