N,N-bis(acetamidomethyl)propanamide

C9H17N3O3 — CID 59001687

IUPACN,N-bis(acetamidomethyl)propanamide
SMILESCCC(=O)N(CNC(C)=O)CNC(C)=O
InChIInChI=1S/C9H17N3O3/c1-4-9(15)12(5-10-7(2)13)6-11-8(3)14/h4-6H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyGYSRINUYCXUTHF-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.59
Rot. Bonds5

About N,N-bis(acetamidomethyl)propanamide

N,N-bis(acetamidomethyl)propanamide (PubChem CID 59001687) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N,N-bis(acetamidomethyl)propanamide.

Molecular Properties

Compound NameN,N-bis(acetamidomethyl)propanamide
PubChem CID59001687
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN,N-bis(acetamidomethyl)propanamide
SMILESCCC(=O)N(CNC(C)=O)CNC(C)=O
InChIInChI=1S/C9H17N3O3/c1-4-9(15)12(5-10-7(2)13)6-11-8(3)14/h4-6H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyGYSRINUYCXUTHF-UHFFFAOYSA-N
XLogP-0.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-N-butylpropanamide
CID 170264353
N,N-bis[(ethenylamino)methyl]propanamide
CID 58852926
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
CID 88764909
CID 88764909
N-ethylacetamide;hydrochloride
CID 87177071
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
N,N-dimethylacetamide;N,N-dimethylpropanamide;N-methylacetamide
CID 165098180
N,N-diethylethanamine;N-ethylacetamide
CID 174959939
N-[[tert-butyl(methyl)amino]methyl]acetamide
CID 59035118
N-(2-methylpropyl)-N-(2-oxopropyl)propanamide
CID 88936826
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586

Frequently Asked Questions

What is the IUPAC name of N,N-bis(acetamidomethyl)propanamide?
The IUPAC name of N,N-bis(acetamidomethyl)propanamide (CID 59001687) is N,N-bis(acetamidomethyl)propanamide.
What is the SMILES notation for N,N-bis(acetamidomethyl)propanamide?
The canonical SMILES for N,N-bis(acetamidomethyl)propanamide is CCC(=O)N(CNC(C)=O)CNC(C)=O.
What is the InChIKey of N,N-bis(acetamidomethyl)propanamide?
The InChIKey is GYSRINUYCXUTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-4-9(15)12(5-10-7(2)13)6-11-8(3)14/h4-6H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of N,N-bis(acetamidomethyl)propanamide?
N,N-bis(acetamidomethyl)propanamide has a molecular weight of 215.25 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(acetamidomethyl)propanamide is sourced from PubChem (CID 59001687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).