N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide

C17H32N2O2 — CID 62553010

IUPACN-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide
SMILESCC1CCC(CO)(NC(C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-13-8-10-17(12-20,11-9-13)19-14(2)16(21)18-15-6-4-3-5-7-15/h13-15,19-20H,3-12H2,1-2H3,(H,18,21)
InChIKeyNAPGTDLTENODRA-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.35
Rot. Bonds5

About N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide

N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide (PubChem CID 62553010) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide
PubChem CID62553010
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide
SMILESCC1CCC(CO)(NC(C)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H32N2O2/c1-13-8-10-17(12-20,11-9-13)19-14(2)16(21)18-15-6-4-3-5-7-15/h13-15,19-20H,3-12H2,1-2H3,(H,18,21)
InChIKeyNAPGTDLTENODRA-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide (CID 62553010) is N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide is CC1CCC(CO)(NC(C)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide?
The InChIKey is NAPGTDLTENODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-8-10-17(12-20,11-9-13)19-14(2)16(21)18-15-6-4-3-5-7-15/h13-15,19-20H,3-12H2,1-2H3,(H,18,21).
What are the key properties of N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide?
N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide has a molecular weight of 296.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propanamide is sourced from PubChem (CID 62553010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).