2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide

C14H28N2O3 — CID 55087172

IUPAC2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H28N2O3/c1-11-4-6-14(10-17,7-5-11)15-8-13(18)16-12(2)9-19-3/h11-12,15,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyMHNCEAFSMDDMKR-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.67
Rot. Bonds7

About 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 55087172) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID55087172
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H28N2O3/c1-11-4-6-14(10-17,7-5-11)15-8-13(18)16-12(2)9-19-3/h11-12,15,17H,4-10H2,1-3H3,(H,16,18)
InChIKeyMHNCEAFSMDDMKR-UHFFFAOYSA-N
XLogP0.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide (CID 55087172) is 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNC1(CO)CCC(C)CC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is MHNCEAFSMDDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11-4-6-14(10-17,7-5-11)15-8-13(18)16-12(2)9-19-3/h11-12,15,17H,4-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide?
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 272.39 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 55087172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).