4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide

C18H28N2O — CID 173489187

IUPAC4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide
SMILESC=C1CCCCC/C=C\C=C1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C18H28N2O/c1-14-8-6-4-2-3-5-7-9-17(14)20-18(21)15-10-12-16(19)13-11-15/h5,7,9,15-16H,1-4,6,8,10-13,19H2,(H,20,21)/b7-5-,17-9?
InChIKeyUZPSXKYQBWARGN-SOXBIGPDSA-N
MW288.43 g/mol
LogP3.58
Rot. Bonds2

About 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide

4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide (PubChem CID 173489187) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide
PubChem CID173489187
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide
SMILESC=C1CCCCC/C=C\C=C1NC(=O)C1CCC(N)CC1
InChIInChI=1S/C18H28N2O/c1-14-8-6-4-2-3-5-7-9-17(14)20-18(21)15-10-12-16(19)13-11-15/h5,7,9,15-16H,1-4,6,8,10-13,19H2,(H,20,21)/b7-5-,17-9?
InChIKeyUZPSXKYQBWARGN-SOXBIGPDSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide (CID 173489187) is 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide is C=C1CCCCC/C=C\C=C1NC(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide?
The InChIKey is UZPSXKYQBWARGN-SOXBIGPDSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-8-6-4-2-3-5-7-9-17(14)20-18(21)15-10-12-16(19)13-11-15/h5,7,9,15-16H,1-4,6,8,10-13,19H2,(H,20,21)/b7-5-,17-9?.
What are the key properties of 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide?
4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide has a molecular weight of 288.43 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 173489187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).