2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide

C13H19N3O — CID 155073591

IUPAC2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide
SMILESCC(C)/N=C(\N)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C13H19N3O/c1-9(2)15-12(14)13(17)16-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,14,15)(H,16,17)
InChIKeyADMZAGZDRRPHNT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide

2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide (PubChem CID 155073591) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide.

Molecular Properties

Compound Name2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide
PubChem CID155073591
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide
SMILESCC(C)/N=C(\N)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C13H19N3O/c1-9(2)15-12(14)13(17)16-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,14,15)(H,16,17)
InChIKeyADMZAGZDRRPHNT-UHFFFAOYSA-N
XLogP1.63
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1R)-1-(3-bromophenyl)ethyl]-2-propan-2-yliminoacetamide
CID 155176944
(Z)-3-methyl-4-oxo-4-(1-phenylethylamino)but-2-enoic acid
CID 56726263
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
[(1R)-1-phenylethyl]thiourea
CID 696701
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
N-[(2R)-2-hydroxypropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 2291148
1-hydroxy-3-[(1R)-1-phenylethyl]urea
CID 50905877
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
3-amino-N-(1-phenylethyl)propanamide
CID 16784228

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide?
The IUPAC name of 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide (CID 155073591) is 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide.
What is the SMILES notation for 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide?
The canonical SMILES for 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide is CC(C)/N=C(\N)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide?
The InChIKey is ADMZAGZDRRPHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)15-12(14)13(17)16-10(3)11-7-5-4-6-8-11/h4-10H,1-3H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide?
2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-phenylethyl)-2-propan-2-yliminoacetamide is sourced from PubChem (CID 155073591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).