3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide

C19H27N3O2 — CID 18126658

IUPAC3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H27N3O2/c1-14(18(23)21-12-11-15-7-4-3-5-8-15)22-17-10-6-9-16(13-17)19(24)20-2/h6-7,9-10,13-14,22H,3-5,8,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFJUXAJIICSXXRS-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.85
Rot. Bonds7

About 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide

3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide (PubChem CID 18126658) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
PubChem CID18126658
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H27N3O2/c1-14(18(23)21-12-11-15-7-4-3-5-8-15)22-17-10-6-9-16(13-17)19(24)20-2/h6-7,9-10,13-14,22H,3-5,8,11-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyFJUXAJIICSXXRS-UHFFFAOYSA-N
XLogP2.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
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CID 35708598
3-bromo-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide (CID 18126658) is 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The InChIKey is FJUXAJIICSXXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(18(23)21-12-11-15-7-4-3-5-8-15)22-17-10-6-9-16(13-17)19(24)20-2/h6-7,9-10,13-14,22H,3-5,8,11-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide?
3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 18126658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).