2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide

C19H26N2O2 — CID 166633566

IUPAC2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide
SMILESCC(C)CC#Cc1ccc(NC2CCC(O)CC2)c(C(N)=O)c1
InChIInChI=1S/C19H26N2O2/c1-13(2)4-3-5-14-6-11-18(17(12-14)19(20)23)21-15-7-9-16(22)10-8-15/h6,11-13,15-16,21-22H,4,7-10H2,1-2H3,(H2,20,23)
InChIKeyCGFYZNPAXTVLTD-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.90
Rot. Bonds4

About 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide

2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide (PubChem CID 166633566) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide
PubChem CID166633566
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide
SMILESCC(C)CC#Cc1ccc(NC2CCC(O)CC2)c(C(N)=O)c1
InChIInChI=1S/C19H26N2O2/c1-13(2)4-3-5-14-6-11-18(17(12-14)19(20)23)21-15-7-9-16(22)10-8-15/h6,11-13,15-16,21-22H,4,7-10H2,1-2H3,(H2,20,23)
InChIKeyCGFYZNPAXTVLTD-UHFFFAOYSA-N
XLogP2.90
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide (CID 166633566) is 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide is CC(C)CC#Cc1ccc(NC2CCC(O)CC2)c(C(N)=O)c1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide?
The InChIKey is CGFYZNPAXTVLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)4-3-5-14-6-11-18(17(12-14)19(20)23)21-15-7-9-16(22)10-8-15/h6,11-13,15-16,21-22H,4,7-10H2,1-2H3,(H2,20,23).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide?
2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide has a molecular weight of 314.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-5-(4-methylpent-1-ynyl)benzamide is sourced from PubChem (CID 166633566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).