(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide

C17H23ClN2O3 — CID 96517372

IUPAC(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCC1)N1CCO[C@H](CO)C1
InChIInChI=1S/C17H23ClN2O3/c18-14-4-2-13(3-5-14)17(6-1-7-17)12-19-16(22)20-8-9-23-15(10-20)11-21/h2-5,15,21H,1,6-12H2,(H,19,22)/t15-/m0/s1
InChIKeyGMNIKPXCMDKJKF-HNNXBMFYSA-N
MW338.84 g/mol
LogP2.16
Rot. Bonds4

About (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide

(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 96517372) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID96517372
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CCC1)N1CCO[C@H](CO)C1
InChIInChI=1S/C17H23ClN2O3/c18-14-4-2-13(3-5-14)17(6-1-7-17)12-19-16(22)20-8-9-23-15(10-20)11-21/h2-5,15,21H,1,6-12H2,(H,19,22)/t15-/m0/s1
InChIKeyGMNIKPXCMDKJKF-HNNXBMFYSA-N
XLogP2.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
3-(hydroxymethyl)-N-[(1-phenylcyclobutyl)methyl]piperidine-1-carboxamide
CID 110895517
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208288
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571565
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96526050
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119769970
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 81204422
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589
1-[[(2-ethylmorpholine-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311332

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide (CID 96517372) is (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CCC1)N1CCO[C@H](CO)C1.
What is the InChIKey of (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is GMNIKPXCMDKJKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-14-4-2-13(3-5-14)17(6-1-7-17)12-19-16(22)20-8-9-23-15(10-20)11-21/h2-5,15,21H,1,6-12H2,(H,19,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 338.84 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 96517372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).