2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide

C15H30N2O3 — CID 65120955

IUPAC2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O3/c1-14(2)5-7-15(19,8-6-14)12-16-11-13(18)17-9-4-10-20-3/h16,19H,4-12H2,1-3H3,(H,17,18)
InChIKeyWKMXQHWMBXDTKS-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.06
Rot. Bonds8

About 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide

2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 65120955) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID65120955
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O3/c1-14(2)5-7-15(19,8-6-14)12-16-11-13(18)17-9-4-10-20-3/h16,19H,4-12H2,1-3H3,(H,17,18)
InChIKeyWKMXQHWMBXDTKS-UHFFFAOYSA-N
XLogP1.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 81130287
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
CID 65120371
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79290845
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
N-ethyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60909353
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide (CID 65120955) is 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is WKMXQHWMBXDTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-14(2)5-7-15(19,8-6-14)12-16-11-13(18)17-9-4-10-20-3/h16,19H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide?
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 286.42 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 65120955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).