4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide

C17H19N3O3 — CID 141080234

IUPAC4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCNC(=O)[C@H](N)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c18-15(12-4-2-1-3-5-12)17(22)20-10-11-23-14-8-6-13(7-9-14)16(19)21/h1-9,15H,10-11,18H2,(H2,19,21)(H,20,22)/t15-/m1/s1
InChIKeyUZAREFZRVTWSHI-OAHLLOKOSA-N
MW313.36 g/mol
LogP0.98
Rot. Bonds7

About 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide

4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide (PubChem CID 141080234) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide
PubChem CID141080234
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCNC(=O)[C@H](N)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O3/c18-15(12-4-2-1-3-5-12)17(22)20-10-11-23-14-8-6-13(7-9-14)16(19)21/h1-9,15H,10-11,18H2,(H2,19,21)(H,20,22)/t15-/m1/s1
InChIKeyUZAREFZRVTWSHI-OAHLLOKOSA-N
XLogP0.98
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-2-amino-2-phenylacetyl]amino]ethyl carbamate
CID 104898331
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
2,3-diamino-N-(2-phenoxyethyl)propanamide
CID 59654100
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
4-(3-phenoxypropylamino)benzamide
CID 60678988
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide?
The IUPAC name of 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide (CID 141080234) is 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide.
What is the SMILES notation for 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide?
The canonical SMILES for 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide is NC(=O)c1ccc(OCCNC(=O)[C@H](N)c2ccccc2)cc1.
What is the InChIKey of 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide?
The InChIKey is UZAREFZRVTWSHI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-15(12-4-2-1-3-5-12)17(22)20-10-11-23-14-8-6-13(7-9-14)16(19)21/h1-9,15H,10-11,18H2,(H2,19,21)(H,20,22)/t15-/m1/s1.
What are the key properties of 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide?
4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide has a molecular weight of 313.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide is sourced from PubChem (CID 141080234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).