N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide

C13H19N3O3 — CID 107861945

IUPACN-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide
SMILESNCCNC(=O)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-6-7-15-12(18)13(19)16-11(9-17)8-10-4-2-1-3-5-10/h1-5,11,17H,6-9,14H2,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyHOHBCGZOVRWLEM-NSHDSACASA-N
MW265.31 g/mol
LogP-1.22
Rot. Bonds6

About N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide

N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide (PubChem CID 107861945) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide
PubChem CID107861945
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide
SMILESNCCNC(=O)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-6-7-15-12(18)13(19)16-11(9-17)8-10-4-2-1-3-5-10/h1-5,11,17H,6-9,14H2,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyHOHBCGZOVRWLEM-NSHDSACASA-N
XLogP-1.22
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107863070
(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18341314
6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
CID 107863098
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
3-acetamido-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 63260698

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide (CID 107861945) is N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide is NCCNC(=O)C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide?
The InChIKey is HOHBCGZOVRWLEM-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c14-6-7-15-12(18)13(19)16-11(9-17)8-10-4-2-1-3-5-10/h1-5,11,17H,6-9,14H2,(H,15,18)(H,16,19)/t11-/m0/s1.
What are the key properties of N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide?
N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide has a molecular weight of 265.31 g/mol, XLogP of -1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[(2S)-1-hydroxy-3-phenylpropan-2-yl]oxamide is sourced from PubChem (CID 107861945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).