N,N-diethyl-2-(prop-2-enylamino)acetamide

C9H18N2O — CID 28563292

IUPACN,N-diethyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(CC)CC
InChIInChI=1S/C9H18N2O/c1-4-7-10-8-9(12)11(5-2)6-3/h4,10H,1,5-8H2,2-3H3
InChIKeyRHJWCULLJOPDKK-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.63
Rot. Bonds6

About N,N-diethyl-2-(prop-2-enylamino)acetamide

N,N-diethyl-2-(prop-2-enylamino)acetamide (PubChem CID 28563292) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N,N-diethyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(prop-2-enylamino)acetamide
PubChem CID28563292
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN,N-diethyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(CC)CC
InChIInChI=1S/C9H18N2O/c1-4-7-10-8-9(12)11(5-2)6-3/h4,10H,1,5-8H2,2-3H3
InChIKeyRHJWCULLJOPDKK-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-(prop-2-enylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(prop-2-enylamino)-N-propylacetamide
CID 79286208
3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
CID 79278388
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79279874
N-ethyl-N-[(3-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285693
N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
CID 79277849
N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide
CID 79286394
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
N,N-diethylbut-3-enamide
CID 12545744
N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79280206
2-(2,2-dimethylpropylamino)-N,N-diethylacetamide
CID 61167034
N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79278136

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N,N-diethyl-2-(prop-2-enylamino)acetamide (CID 28563292) is N,N-diethyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N,N-diethyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N,N-diethyl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-(prop-2-enylamino)acetamide?
The InChIKey is RHJWCULLJOPDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-7-10-8-9(12)11(5-2)6-3/h4,10H,1,5-8H2,2-3H3.
What are the key properties of N,N-diethyl-2-(prop-2-enylamino)acetamide?
N,N-diethyl-2-(prop-2-enylamino)acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 28563292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).