2,3-diamino-N-(2-phenoxyethyl)propanamide

C11H17N3O2 — CID 59654100

IUPAC2,3-diamino-N-(2-phenoxyethyl)propanamide
SMILESNCC(N)C(=O)NCCOc1ccccc1
InChIInChI=1S/C11H17N3O2/c12-8-10(13)11(15)14-6-7-16-9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2,(H,14,15)
InChIKeyJOVVOWJTGHITEL-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.53
Rot. Bonds6

About 2,3-diamino-N-(2-phenoxyethyl)propanamide

2,3-diamino-N-(2-phenoxyethyl)propanamide (PubChem CID 59654100) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,3-diamino-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name2,3-diamino-N-(2-phenoxyethyl)propanamide
PubChem CID59654100
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2,3-diamino-N-(2-phenoxyethyl)propanamide
SMILESNCC(N)C(=O)NCCOc1ccccc1
InChIInChI=1S/C11H17N3O2/c12-8-10(13)11(15)14-6-7-16-9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2,(H,14,15)
InChIKeyJOVVOWJTGHITEL-UHFFFAOYSA-N
XLogP-0.53
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.53
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-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
3,4-diamino-N-(2-phenoxyethyl)butanamide
CID 87732919
N-(2-phenoxyethyl)-2-sulfanylpropanamide
CID 107026809
2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 131720927
4-[2-[[(2R)-2-amino-2-phenylacetyl]amino]ethoxy]benzamide
CID 141080234
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-phenoxypropyl)propanamide
CID 119694927
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 2,3-diamino-N-(2-phenoxyethyl)propanamide (CID 59654100) is 2,3-diamino-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 2,3-diamino-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 2,3-diamino-N-(2-phenoxyethyl)propanamide is NCC(N)C(=O)NCCOc1ccccc1.
What is the InChIKey of 2,3-diamino-N-(2-phenoxyethyl)propanamide?
The InChIKey is JOVVOWJTGHITEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-8-10(13)11(15)14-6-7-16-9-4-2-1-3-5-9/h1-5,10H,6-8,12-13H2,(H,14,15).
What are the key properties of 2,3-diamino-N-(2-phenoxyethyl)propanamide?
2,3-diamino-N-(2-phenoxyethyl)propanamide has a molecular weight of 223.28 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 59654100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).