N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium

C18H28N3OY- — CID 59242511

IUPACN-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium
SMILESCCNC(=O)C1CCC(Nc2c[c-]cc(N(C)CC)c2)CC1.[Y]
InChIInChI=1S/C18H28N3O.Y/c1-4-19-18(22)14-9-11-15(12-10-14)20-16-7-6-8-17(13-16)21(3)5-2;/h7-8,13-15,20H,4-5,9-12H2,1-3H3,(H,19,22);/q-1;
InChIKeyASVYKQSCBUBZIC-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.05
Rot. Bonds6

About N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium

N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium (PubChem CID 59242511) has the molecular formula C18H28N3OY- and a molecular weight of 391.35 g/mol. Its IUPAC name is N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium.

Molecular Properties

Compound NameN-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium
PubChem CID59242511
Molecular FormulaC18H28N3OY-
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC NameN-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium
SMILESCCNC(=O)C1CCC(Nc2c[c-]cc(N(C)CC)c2)CC1.[Y]
InChIInChI=1S/C18H28N3O.Y/c1-4-19-18(22)14-9-11-15(12-10-14)20-16-7-6-8-17(13-16)21(3)5-2;/h7-8,13-15,20H,4-5,9-12H2,1-3H3,(H,19,22);/q-1;
InChIKeyASVYKQSCBUBZIC-UHFFFAOYSA-N
XLogP3.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium with MolForge

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Related Compounds

4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
CID 70974460
4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide
CID 89073783
4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
CID 89153819
4-amino-N-[(3Z,5E)-5-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-2-yl]cyclohexane-1-carboxamide
CID 89153929
4-amino-N-but-2-en-2-ylcyclohexane-1-carboxamide
CID 123489704
N-[(3E)-5-aminohexa-1,3,5-trien-3-yl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]cyclohexane-1-carboxamide
CID 145220255
4-[(2-methylidene-5-oxopyrrol-1-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 170364011
ethane;N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4-(prop-2-enoylamino)cyclohexane-1-carboxamide
CID 177358874
1-methyl-N-[4-(methylcarbamoyl)cyclohexyl]-2-oxopyridine-4-carboxamide
CID 53539982
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 54862564
4-amino-N-(1-methyl-6-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 54863106
4-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60928217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium?
The IUPAC name of N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium (CID 59242511) is N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium.
What is the SMILES notation for N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium?
The canonical SMILES for N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium is CCNC(=O)C1CCC(Nc2c[c-]cc(N(C)CC)c2)CC1.[Y].
What is the InChIKey of N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium?
The InChIKey is ASVYKQSCBUBZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N3O.Y/c1-4-19-18(22)14-9-11-15(12-10-14)20-16-7-6-8-17(13-16)21(3)5-2;/h7-8,13-15,20H,4-5,9-12H2,1-3H3,(H,19,22);/q-1;.
What are the key properties of N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium?
N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium has a molecular weight of 391.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[3-[ethyl(methyl)amino]benzene-5-id-1-yl]amino]cyclohexane-1-carboxamide;yttrium is sourced from PubChem (CID 59242511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).