1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid

C14H25N3O4 — CID 60710241

IUPAC1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NCC(=O)N(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-4-10-5-7-14(8-6-10,12(19)20)16-13(21)15-9-11(18)17(2)3/h10H,4-9H2,1-3H3,(H,19,20)(H2,15,16,21)
InChIKeyWHKZKWJSOVKPJI-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.80
Rot. Bonds5

About 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid

1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 60710241) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID60710241
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NCC(=O)N(C)C)(C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-4-10-5-7-14(8-6-10,12(19)20)16-13(21)15-9-11(18)17(2)3/h10H,4-9H2,1-3H3,(H,19,20)(H2,15,16,21)
InChIKeyWHKZKWJSOVKPJI-UHFFFAOYSA-N
XLogP0.80
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid (CID 60710241) is 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)NCC(=O)N(C)C)(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is WHKZKWJSOVKPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-10-5-7-14(8-6-10,12(19)20)16-13(21)15-9-11(18)17(2)3/h10H,4-9H2,1-3H3,(H,19,20)(H2,15,16,21).
What are the key properties of 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid?
1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 60710241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).