2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide

C16H29NO4 — CID 110125960

IUPAC2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide
SMILESCO[C@@H]1CCCC[C@@H](NC(=O)CC2(O)CCCCC2)[C@H]1O
InChIInChI=1S/C16H29NO4/c1-21-13-8-4-3-7-12(15(13)19)17-14(18)11-16(20)9-5-2-6-10-16/h12-13,15,19-20H,2-11H2,1H3,(H,17,18)/t12-,13-,15-/m1/s1
InChIKeyKUZNHXUQAJSDRV-UMVBOHGHSA-N
MW299.41 g/mol
LogP1.51
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide

2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide (PubChem CID 110125960) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide
PubChem CID110125960
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide
SMILESCO[C@@H]1CCCC[C@@H](NC(=O)CC2(O)CCCCC2)[C@H]1O
InChIInChI=1S/C16H29NO4/c1-21-13-8-4-3-7-12(15(13)19)17-14(18)11-16(20)9-5-2-6-10-16/h12-13,15,19-20H,2-11H2,1H3,(H,17,18)/t12-,13-,15-/m1/s1
InChIKeyKUZNHXUQAJSDRV-UMVBOHGHSA-N
XLogP1.51
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 62086765
1-[2-[(2-methoxycyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62086582
N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111912577
N-(4,4-dimethylcyclohexyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540205
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide
CID 110125976
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107221672
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529605
2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 111464407
2-(2-chlorophenoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
CID 110125549
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]acetamide
CID 110125512
N-(3-cyclohexyloxypropyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430333
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide (CID 110125960) is 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide is CO[C@@H]1CCCC[C@@H](NC(=O)CC2(O)CCCCC2)[C@H]1O.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide?
The InChIKey is KUZNHXUQAJSDRV-UMVBOHGHSA-N. The full InChI is InChI=1S/C16H29NO4/c1-21-13-8-4-3-7-12(15(13)19)17-14(18)11-16(20)9-5-2-6-10-16/h12-13,15,19-20H,2-11H2,1H3,(H,17,18)/t12-,13-,15-/m1/s1.
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide has a molecular weight of 299.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide is sourced from PubChem (CID 110125960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).