2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C18H28N2O3 — CID 50964588

IUPAC2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CNC[C@H]1CCCC[C@H]1O
InChIInChI=1S/C18H28N2O3/c1-23-17-9-5-3-6-14(17)10-11-20-18(22)13-19-12-15-7-2-4-8-16(15)21/h3,5-6,9,15-16,19,21H,2,4,7-8,10-13H2,1H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyTYBKQDFSQPNAKA-HZPDHXFCSA-N
MW320.43 g/mol
LogP1.49
Rot. Bonds8

About 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 50964588) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID50964588
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CNC[C@H]1CCCC[C@H]1O
InChIInChI=1S/C18H28N2O3/c1-23-17-9-5-3-6-14(17)10-11-20-18(22)13-19-12-15-7-2-4-8-16(15)21/h3,5-6,9,15-16,19,21H,2,4,7-8,10-13H2,1H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyTYBKQDFSQPNAKA-HZPDHXFCSA-N
XLogP1.49
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 133110814
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
2-[(2-chlorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997926
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 108997498
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 37222450
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-[2-(4-chlorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000751

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 50964588) is 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CNC[C@H]1CCCC[C@H]1O.
What is the InChIKey of 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is TYBKQDFSQPNAKA-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-23-17-9-5-3-6-14(17)10-11-20-18(22)13-19-12-15-7-2-4-8-16(15)21/h3,5-6,9,15-16,19,21H,2,4,7-8,10-13H2,1H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 320.43 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 50964588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).