(2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide

C17H24ClNO2 — CID 97244080

IUPAC(2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide
SMILESC[C@@H](Cc1cccc(Cl)c1)C(=O)NCC1(CCO)CCC1
InChIInChI=1S/C17H24ClNO2/c1-13(10-14-4-2-5-15(18)11-14)16(21)19-12-17(8-9-20)6-3-7-17/h2,4-5,11,13,20H,3,6-10,12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyCMWFNNAHHVDUOT-ZDUSSCGKSA-N
MW309.84 g/mol
LogP3.19
Rot. Bonds7

About (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide

(2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide (PubChem CID 97244080) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide
PubChem CID97244080
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide
SMILESC[C@@H](Cc1cccc(Cl)c1)C(=O)NCC1(CCO)CCC1
InChIInChI=1S/C17H24ClNO2/c1-13(10-14-4-2-5-15(18)11-14)16(21)19-12-17(8-9-20)6-3-7-17/h2,4-5,11,13,20H,3,6-10,12H2,1H3,(H,19,21)/t13-/m0/s1
InChIKeyCMWFNNAHHVDUOT-ZDUSSCGKSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide
CID 109478662
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 120515175
N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119817819
3-[[3-(3-chlorophenyl)-2-methylpropanoyl]amino]-3-ethylpentanoic acid
CID 120532467
3-(3-chlorophenyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 109478347
[1-[[(3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293650
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 55122740
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
CID 109480246
1-[1-[(3-chlorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62726411
(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
(2R)-3-(3-chlorophenyl)-2-methylpropanoic acid;molecular fluorine
CID 167711983

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide?
The IUPAC name of (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide (CID 97244080) is (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide.
What is the SMILES notation for (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide?
The canonical SMILES for (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide is C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC1(CCO)CCC1.
What is the InChIKey of (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide?
The InChIKey is CMWFNNAHHVDUOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-13(10-14-4-2-5-15(18)11-14)16(21)19-12-17(8-9-20)6-3-7-17/h2,4-5,11,13,20H,3,6-10,12H2,1H3,(H,19,21)/t13-/m0/s1.
What are the key properties of (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide?
(2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide has a molecular weight of 309.84 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-chlorophenyl)-N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 97244080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).