4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide

C18H30N2O — CID 89073783

IUPAC4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide
SMILESC=C(/C=C\C(=C/C)CCCC)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C18H30N2O/c1-4-6-7-15(5-2)9-8-14(3)20-18(21)16-10-12-17(19)13-11-16/h5,8-9,16-17H,3-4,6-7,10-13,19H2,1-2H3,(H,20,21)/b9-8-,15-5-
InChIKeyPQQYNDPVOPHTEG-IENYOQMSSA-N
MW290.45 g/mol
LogP3.83
Rot. Bonds7

About 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide

4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide (PubChem CID 89073783) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide
PubChem CID89073783
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide
SMILESC=C(/C=C\C(=C/C)CCCC)NC(=O)C1CCC(N)CC1
InChIInChI=1S/C18H30N2O/c1-4-6-7-15(5-2)9-8-14(3)20-18(21)16-10-12-17(19)13-11-16/h5,8-9,16-17H,3-4,6-7,10-13,19H2,1-2H3,(H,20,21)/b9-8-,15-5-
InChIKeyPQQYNDPVOPHTEG-IENYOQMSSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide (CID 89073783) is 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide is C=C(/C=C\C(=C/C)CCCC)NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide?
The InChIKey is PQQYNDPVOPHTEG-IENYOQMSSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-6-7-15(5-2)9-8-14(3)20-18(21)16-10-12-17(19)13-11-16/h5,8-9,16-17H,3-4,6-7,10-13,19H2,1-2H3,(H,20,21)/b9-8-,15-5-.
What are the key properties of 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide?
4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 89073783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).