2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide

C20H30N2O3 — CID 52539243

IUPAC2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-15(17-11-7-8-12-18(17)25-3)22(2)20(24)14-21-19(23)13-16-9-5-4-6-10-16/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyOTJULRXZYYXFFC-OAHLLOKOSA-N
MW346.47 g/mol
LogP3.30
Rot. Bonds7

About 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide

2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide (PubChem CID 52539243) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
PubChem CID52539243
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)N(C)C(=O)CNC(=O)CC1CCCCC1
InChIInChI=1S/C20H30N2O3/c1-15(17-11-7-8-12-18(17)25-3)22(2)20(24)14-21-19(23)13-16-9-5-4-6-10-16/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,21,23)/t15-/m1/s1
InChIKeyOTJULRXZYYXFFC-OAHLLOKOSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 134054508
2-cyclohexyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144509
4-(cyclohexylcarbamoylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 134054698
N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 124514172
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 60939770
2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
CID 54874331
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
2-cyclohexyl-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575527
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 8000352
5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 55580820

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide (CID 52539243) is 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide is COc1ccccc1[C@@H](C)N(C)C(=O)CNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide?
The InChIKey is OTJULRXZYYXFFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(17-11-7-8-12-18(17)25-3)22(2)20(24)14-21-19(23)13-16-9-5-4-6-10-16/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide?
2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 52539243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).