(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide

C17H25ClN2O3 — CID 96526050

IUPAC(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCO[C@@H](CO)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-12(2)9-16(13-3-5-14(18)6-4-13)19-17(22)20-7-8-23-15(10-20)11-21/h3-6,12,15-16,21H,7-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyCCYWYFRVPZLKTI-CVEARBPZSA-N
MW340.85 g/mol
LogP2.83
Rot. Bonds5

About (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide

(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide (PubChem CID 96526050) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide
PubChem CID96526050
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)N1CCO[C@@H](CO)C1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O3/c1-12(2)9-16(13-3-5-14(18)6-4-13)19-17(22)20-7-8-23-15(10-20)11-21/h3-6,12,15-16,21H,7-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyCCYWYFRVPZLKTI-CVEARBPZSA-N
XLogP2.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96523126
2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide
CID 71924014
2-(4-chlorophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208288
2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125132677
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 81204422
(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96517372
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-(1-hydroxypropan-2-yl)urea
CID 111507071
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
(2R)-2-ethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]morpholine-4-carboxamide
CID 94030007
2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
4-chloro-N-[(2S)-4-methyl-1-[(2R)-2-methylmorpholin-4-yl]-1-oxopentan-2-yl]benzamide
CID 37034025
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111631154

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide (CID 96526050) is (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide is CC(C)C[C@H](NC(=O)N1CCO[C@@H](CO)C1)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
The InChIKey is CCYWYFRVPZLKTI-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-12(2)9-16(13-3-5-14(18)6-4-13)19-17(22)20-7-8-23-15(10-20)11-21/h3-6,12,15-16,21H,7-11H2,1-2H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide?
(2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-chlorophenyl)-3-methylbutyl]-2-(hydroxymethyl)morpholine-4-carboxamide is sourced from PubChem (CID 96526050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).