2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide

C16H24N2O3 — CID 106133704

IUPAC2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNCC1CCC(O)CC1
InChIInChI=1S/C16H24N2O3/c1-21-15-5-3-2-4-14(15)18-16(20)11-17-10-12-6-8-13(19)9-7-12/h2-5,12-13,17,19H,6-11H2,1H3,(H,18,20)
InChIKeySDYYLSYBIAALBO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.77
Rot. Bonds6

About 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide

2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 106133704) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID106133704
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CNCC1CCC(O)CC1
InChIInChI=1S/C16H24N2O3/c1-21-15-5-3-2-4-14(15)18-16(20)11-17-10-12-6-8-13(19)9-7-12/h2-5,12-13,17,19H,6-11H2,1H3,(H,18,20)
InChIKeySDYYLSYBIAALBO-UHFFFAOYSA-N
XLogP1.77
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopropyl-2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 63298547
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]-2,5-dimethoxyphenyl]benzamide;hydrochloride
CID 119679319
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
N-(2-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 9322485
N-(5-acetamido-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119680223
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
2-(cyclopentyloxyamino)-N-(2-methoxyphenyl)acetamide
CID 83228402
N-(2-bromophenyl)-2-[(3-hydroxycyclopentyl)methylamino]acetamide
CID 106130097
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide (CID 106133704) is 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CNCC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is SDYYLSYBIAALBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-21-15-5-3-2-4-14(15)18-16(20)11-17-10-12-6-8-13(19)9-7-12/h2-5,12-13,17,19H,6-11H2,1H3,(H,18,20).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide?
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 106133704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).