(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide

C17H26N4O3 — CID 124777171

IUPAC(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
SMILESC[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C(N)=O)C1
InChIInChI=1S/C17H26N4O3/c1-13(10-20(2)11-14-6-4-3-5-7-14)19-17(23)21-8-9-24-15(12-21)16(18)22/h3-7,13,15H,8-12H2,1-2H3,(H2,18,22)(H,19,23)/t13-,15+/m0/s1
InChIKeyOFMCBJFSWNECSU-DZGCQCFKSA-N
MW334.42 g/mol
LogP0.40
Rot. Bonds6

About (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide

(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide (PubChem CID 124777171) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
PubChem CID124777171
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide
SMILESC[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C(N)=O)C1
InChIInChI=1S/C17H26N4O3/c1-13(10-20(2)11-14-6-4-3-5-7-14)19-17(23)21-8-9-24-15(12-21)16(18)22/h3-7,13,15H,8-12H2,1-2H3,(H2,18,22)(H,19,23)/t13-,15+/m0/s1
InChIKeyOFMCBJFSWNECSU-DZGCQCFKSA-N
XLogP0.40
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide with MolForge

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Related Compounds

1-[[(2R)-1-[benzyl(methyl)amino]propan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123873
methyl 4-[(4-methyl-4-phenylpentan-2-yl)carbamoyl]morpholine-2-carboxylate
CID 122133360
2-[[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-3-[benzyl(methyl)amino]propanoic acid
CID 167896398
4-N-(1-benzylpiperidin-4-yl)morpholine-2,4-dicarboxamide
CID 49471723
4-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 115535367
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402
2-amino-N-[1-[benzyl(methyl)amino]propan-2-yl]-3-methoxypropanamide
CID 120994064
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
(3aS,6aR)-2-[[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010355

Frequently Asked Questions

What is the IUPAC name of (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide?
The IUPAC name of (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide (CID 124777171) is (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide?
The canonical SMILES for (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide is C[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C(N)=O)C1.
What is the InChIKey of (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide?
The InChIKey is OFMCBJFSWNECSU-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13(10-20(2)11-14-6-4-3-5-7-14)19-17(23)21-8-9-24-15(12-21)16(18)22/h3-7,13,15H,8-12H2,1-2H3,(H2,18,22)(H,19,23)/t13-,15+/m0/s1.
What are the key properties of (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide?
(2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 124777171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).