4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide

C16H27N3O2 — CID 142213843

IUPAC4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
SMILESC/C=C(C)/C=C(\N)C(=O)NC1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C16H27N3O2/c1-5-11(2)10-14(17)15(20)18-13-8-6-12(7-9-13)16(21)19(3)4/h5,10,12-13H,6-9,17H2,1-4H3,(H,18,20)/b11-5+,14-10-
InChIKeyVIPSVSFAPXLRLG-IFRKAEHOSA-N
MW293.41 g/mol
LogP1.56
Rot. Bonds4

About 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide

4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 142213843) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID142213843
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
SMILESC/C=C(C)/C=C(\N)C(=O)NC1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C16H27N3O2/c1-5-11(2)10-14(17)15(20)18-13-8-6-12(7-9-13)16(21)19(3)4/h5,10,12-13H,6-9,17H2,1-4H3,(H,18,20)/b11-5+,14-10-
InChIKeyVIPSVSFAPXLRLG-IFRKAEHOSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide (CID 142213843) is 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide is C/C=C(C)/C=C(\N)C(=O)NC1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is VIPSVSFAPXLRLG-IFRKAEHOSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-11(2)10-14(17)15(20)18-13-8-6-12(7-9-13)16(21)19(3)4/h5,10,12-13H,6-9,17H2,1-4H3,(H,18,20)/b11-5+,14-10-.
What are the key properties of 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide?
4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 142213843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).