N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide

C19H29N3O3 — CID 51132773

IUPACN-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1O
InChIInChI=1S/C19H29N3O3/c1-2-12-22(13-15-8-6-7-11-17(15)23)14-18(24)21-19(25)20-16-9-4-3-5-10-16/h6-8,11,16,23H,2-5,9-10,12-14H2,1H3,(H2,20,21,24,25)
InChIKeyKMXOEFNOGNCWNU-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.76
Rot. Bonds7

About N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide

N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide (PubChem CID 51132773) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide
PubChem CID51132773
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1O
InChIInChI=1S/C19H29N3O3/c1-2-12-22(13-15-8-6-7-11-17(15)23)14-18(24)21-19(25)20-16-9-4-3-5-10-16/h6-8,11,16,23H,2-5,9-10,12-14H2,1H3,(H2,20,21,24,25)
InChIKeyKMXOEFNOGNCWNU-UHFFFAOYSA-N
XLogP2.76
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide (CID 51132773) is N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide is CCCN(CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1O.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide?
The InChIKey is KMXOEFNOGNCWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-2-12-22(13-15-8-6-7-11-17(15)23)14-18(24)21-19(25)20-16-9-4-3-5-10-16/h6-8,11,16,23H,2-5,9-10,12-14H2,1H3,(H2,20,21,24,25).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide?
N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(2-hydroxyphenyl)methyl-propylamino]acetamide is sourced from PubChem (CID 51132773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).