4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide

C19H30N2O3 — CID 142493333

IUPAC4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide
SMILESC/C=C\C(=O)N(C=O)CC1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H30N2O3/c1-2-6-18(23)21(14-22)13-15-9-11-16(12-10-15)19(24)20-17-7-4-3-5-8-17/h2,6,14-17H,3-5,7-13H2,1H3,(H,20,24)/b6-2-
InChIKeyKBFGUMVPZWTILT-KXFIGUGUSA-N
MW334.46 g/mol
LogP2.80
Rot. Bonds6

About 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide

4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide (PubChem CID 142493333) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide
PubChem CID142493333
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide
SMILESC/C=C\C(=O)N(C=O)CC1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H30N2O3/c1-2-6-18(23)21(14-22)13-15-9-11-16(12-10-15)19(24)20-17-7-4-3-5-8-17/h2,6,14-17H,3-5,7-13H2,1H3,(H,20,24)/b6-2-
InChIKeyKBFGUMVPZWTILT-KXFIGUGUSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide (CID 142493333) is 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide is C/C=C\C(=O)N(C=O)CC1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide?
The InChIKey is KBFGUMVPZWTILT-KXFIGUGUSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-6-18(23)21(14-22)13-15-9-11-16(12-10-15)19(24)20-17-7-4-3-5-8-17/h2,6,14-17H,3-5,7-13H2,1H3,(H,20,24)/b6-2-.
What are the key properties of 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide?
4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(Z)-but-2-enoyl]-formylamino]methyl]-N-cyclohexylcyclohexane-1-carboxamide is sourced from PubChem (CID 142493333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).