(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide

C16H25N3O2 — CID 58441866

IUPAC(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-3-12(2)15(17)16(20)18-13-4-6-14(7-5-13)19-8-10-21-11-9-19/h4-7,12,15H,3,8-11,17H2,1-2H3,(H,18,20)/t12-,15-/m0/s1
InChIKeyGXDTXFCJCFYUFL-WFASDCNBSA-N
MW291.39 g/mol
LogP1.84
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide (PubChem CID 58441866) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
PubChem CID58441866
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H25N3O2/c1-3-12(2)15(17)16(20)18-13-4-6-14(7-5-13)19-8-10-21-11-9-19/h4-7,12,15H,3,8-11,17H2,1-2H3,(H,18,20)/t12-,15-/m0/s1
InChIKeyGXDTXFCJCFYUFL-WFASDCNBSA-N
XLogP1.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969
ethyl N-[3-methyl-1-(4-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 42897624
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (2S)-2-phenoxybutanoate
CID 7149760
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906
4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
CID 119810201
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 7753295
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide (CID 58441866) is (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide?
The InChIKey is GXDTXFCJCFYUFL-WFASDCNBSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-12(2)15(17)16(20)18-13-4-6-14(7-5-13)19-8-10-21-11-9-19/h4-7,12,15H,3,8-11,17H2,1-2H3,(H,18,20)/t12-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide has a molecular weight of 291.39 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(4-morpholin-4-ylphenyl)pentanamide is sourced from PubChem (CID 58441866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).