2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C20H28N2O3 — CID 111331876

IUPAC2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cccc(NC(=O)CC2(O)CCCCC2)c1C(=O)N1CCCC1
InChIInChI=1S/C20H28N2O3/c1-15-8-7-9-16(18(15)19(24)22-12-5-6-13-22)21-17(23)14-20(25)10-3-2-4-11-20/h7-9,25H,2-6,10-14H2,1H3,(H,21,23)
InChIKeyGOWXOHQVJNRVQY-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.25
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 111331876) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID111331876
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1cccc(NC(=O)CC2(O)CCCCC2)c1C(=O)N1CCCC1
InChIInChI=1S/C20H28N2O3/c1-15-8-7-9-16(18(15)19(24)22-12-5-6-13-22)21-17(23)14-20(25)10-3-2-4-11-20/h7-9,25H,2-6,10-14H2,1H3,(H,21,23)
InChIKeyGOWXOHQVJNRVQY-UHFFFAOYSA-N
XLogP3.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
4-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119715797
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949
2-[[2-(1-aminocyclopentyl)acetyl]amino]-6-methylbenzoic acid
CID 64676889
2-(2-ethoxyphenoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55715273
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119715827
2-(1-hydroxycyclohexyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 111720134
2-methyl-3-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119715817
2-iodo-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55715681
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
N-(2,3-difluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111537333

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 111331876) is 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1cccc(NC(=O)CC2(O)CCCCC2)c1C(=O)N1CCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is GOWXOHQVJNRVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15-8-7-9-16(18(15)19(24)22-12-5-6-13-22)21-17(23)14-20(25)10-3-2-4-11-20/h7-9,25H,2-6,10-14H2,1H3,(H,21,23).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 344.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 111331876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).