(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide

C26H35N3O3 — CID 41307253

IUPAC(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
SMILESCC[C@@H](C)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H35N3O3/c1-3-20(2)25(21-7-5-4-6-8-21)26(30)27-23-10-9-22(28-11-15-31-16-12-28)19-24(23)29-13-17-32-18-14-29/h4-10,19-20,25H,3,11-18H2,1-2H3,(H,27,30)/t20-,25+/m1/s1
InChIKeyBVZFTQQUJDUZPI-NLFFAJNJSA-N
MW437.58 g/mol
LogP4.13
Rot. Bonds7

About (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide

(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide (PubChem CID 41307253) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
PubChem CID41307253
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
SMILESCC[C@@H](C)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C26H35N3O3/c1-3-20(2)25(21-7-5-4-6-8-21)26(30)27-23-10-9-22(28-11-15-31-16-12-28)19-24(23)29-13-17-32-18-14-29/h4-10,19-20,25H,3,11-18H2,1-2H3,(H,27,30)/t20-,25+/m1/s1
InChIKeyBVZFTQQUJDUZPI-NLFFAJNJSA-N
XLogP4.13
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide
CID 41307264
(2S)-2-amino-N-(2,4-dimorpholin-4-ylphenyl)butanamide;trihydrochloride
CID 119900951
(2R)-2-(4-bromophenoxy)-N-(2,4-dimorpholin-4-ylphenyl)propanamide
CID 25337305
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110316961
N-[(2R)-1-(2,4-dimorpholin-4-ylanilino)-1-oxopropan-2-yl]-3-methylbenzamide
CID 41080718
methyl 2-[[(2S)-2-aminobutanoyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840954
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 24648015
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate
CID 76787165

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide?
The IUPAC name of (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide (CID 41307253) is (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide is CC[C@@H](C)[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1ccccc1.
What is the InChIKey of (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide?
The InChIKey is BVZFTQQUJDUZPI-NLFFAJNJSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-3-20(2)25(21-7-5-4-6-8-21)26(30)27-23-10-9-22(28-11-15-31-16-12-28)19-24(23)29-13-17-32-18-14-29/h4-10,19-20,25H,3,11-18H2,1-2H3,(H,27,30)/t20-,25+/m1/s1.
What are the key properties of (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide?
(2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide has a molecular weight of 437.58 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2,4-dimorpholin-4-ylphenyl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 41307253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).