2-amino-N-(3-formamidopropyl)-2-phenylacetamide

C12H17N3O2 — CID 110463054

IUPAC2-amino-N-(3-formamidopropyl)-2-phenylacetamide
SMILESNC(C(=O)NCCCNC=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c13-11(10-5-2-1-3-6-10)12(17)15-8-4-7-14-9-16/h1-3,5-6,9,11H,4,7-8,13H2,(H,14,16)(H,15,17)
InChIKeyXVPBSFODRKOTNK-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.06
Rot. Bonds7

About 2-amino-N-(3-formamidopropyl)-2-phenylacetamide

2-amino-N-(3-formamidopropyl)-2-phenylacetamide (PubChem CID 110463054) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-N-(3-formamidopropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(3-formamidopropyl)-2-phenylacetamide
PubChem CID110463054
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-N-(3-formamidopropyl)-2-phenylacetamide
SMILESNC(C(=O)NCCCNC=O)c1ccccc1
InChIInChI=1S/C12H17N3O2/c13-11(10-5-2-1-3-6-10)12(17)15-8-4-7-14-9-16/h1-3,5-6,9,11H,4,7-8,13H2,(H,14,16)(H,15,17)
InChIKeyXVPBSFODRKOTNK-UHFFFAOYSA-N
XLogP-0.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-hydroxypentyl)-2-phenylacetamide
CID 69266542
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
(2R)-2-amino-N-(5-methylsulfanylpentyl)-2-phenylacetamide
CID 114127295
2-amino-N-[4-(dimethylamino)butyl]-2-phenylacetamide;dihydrochloride
CID 119852800
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
2-amino-N-(2,2-diphenylethyl)-6-formamidohexanamide
CID 145294466
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-formamidopropyl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(3-formamidopropyl)-2-phenylacetamide (CID 110463054) is 2-amino-N-(3-formamidopropyl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(3-formamidopropyl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(3-formamidopropyl)-2-phenylacetamide is NC(C(=O)NCCCNC=O)c1ccccc1.
What is the InChIKey of 2-amino-N-(3-formamidopropyl)-2-phenylacetamide?
The InChIKey is XVPBSFODRKOTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-11(10-5-2-1-3-6-10)12(17)15-8-4-7-14-9-16/h1-3,5-6,9,11H,4,7-8,13H2,(H,14,16)(H,15,17).
What are the key properties of 2-amino-N-(3-formamidopropyl)-2-phenylacetamide?
2-amino-N-(3-formamidopropyl)-2-phenylacetamide has a molecular weight of 235.29 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-formamidopropyl)-2-phenylacetamide is sourced from PubChem (CID 110463054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).