N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide

C13H19N3O2 — CID 60717379

IUPACN-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-16(2)11-6-3-10(4-7-11)5-8-13(18)15-9-12(14)17/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyWOGZNZAEYOGLFK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.29
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide

N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide (PubChem CID 60717379) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
PubChem CID60717379
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1ccc(CCC(=O)NCC(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-16(2)11-6-3-10(4-7-11)5-8-13(18)15-9-12(14)17/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,17)(H,15,18)
InChIKeyWOGZNZAEYOGLFK-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 113227520
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 103770356
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821
N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
CID 166378581

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide (CID 60717379) is N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide is CN(C)c1ccc(CCC(=O)NCC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is WOGZNZAEYOGLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(2)11-6-3-10(4-7-11)5-8-13(18)15-9-12(14)17/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,17)(H,15,18).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide?
N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 60717379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).