1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide

C18H26N2O3 — CID 111432652

IUPAC1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1(NC(=O)C(O)c2ccccc2)CCCCC1
InChIInChI=1S/C18H26N2O3/c1-2-13-19-17(23)18(11-7-4-8-12-18)20-16(22)15(21)14-9-5-3-6-10-14/h3,5-6,9-10,15,21H,2,4,7-8,11-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyCWDNZLNVLCNSMS-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.07
Rot. Bonds6

About 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide

1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide (PubChem CID 111432652) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide
PubChem CID111432652
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide
SMILESCCCNC(=O)C1(NC(=O)C(O)c2ccccc2)CCCCC1
InChIInChI=1S/C18H26N2O3/c1-2-13-19-17(23)18(11-7-4-8-12-18)20-16(22)15(21)14-9-5-3-6-10-14/h3,5-6,9-10,15,21H,2,4,7-8,11-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyCWDNZLNVLCNSMS-UHFFFAOYSA-N
XLogP2.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide (CID 111432652) is 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide is CCCNC(=O)C1(NC(=O)C(O)c2ccccc2)CCCCC1.
What is the InChIKey of 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide?
The InChIKey is CWDNZLNVLCNSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-13-19-17(23)18(11-7-4-8-12-18)20-16(22)15(21)14-9-5-3-6-10-14/h3,5-6,9-10,15,21H,2,4,7-8,11-13H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide?
1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide is sourced from PubChem (CID 111432652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).