N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide

C12H25N3O — CID 79278726

IUPACN-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)CN(CC)CC
InChIInChI=1S/C12H25N3O/c1-5-8-13-9-12(16)14-11(4)10-15(6-2)7-3/h5,11,13H,1,6-10H2,2-4H3,(H,14,16)
InChIKeyUBXZXOAJMGEOEG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.61
Rot. Bonds9

About N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide

N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide (PubChem CID 79278726) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
PubChem CID79278726
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)CN(CC)CC
InChIInChI=1S/C12H25N3O/c1-5-8-13-9-12(16)14-11(4)10-15(6-2)7-3/h5,11,13H,1,6-10H2,2-4H3,(H,14,16)
InChIKeyUBXZXOAJMGEOEG-UHFFFAOYSA-N
XLogP0.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 78914225
N-heptan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914226
N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237
2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 78986835
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
(2R)-3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79278244
3-methyl-2-[[2-(prop-2-enylamino)acetyl]amino]butanoic acid
CID 79279619
N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79285561
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491
N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 81379898

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide (CID 79278726) is N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C)CN(CC)CC.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide?
The InChIKey is UBXZXOAJMGEOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-8-13-9-12(16)14-11(4)10-15(6-2)7-3/h5,11,13H,1,6-10H2,2-4H3,(H,14,16).
What are the key properties of N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide?
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).