N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide

C10H20N4O2 — CID 83110912

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C10H20N4O2/c1-4-5-11-8-9(15)12-6-7-13-10(16)14(2)3/h4,11H,1,5-8H2,2-3H3,(H,12,15)(H,13,16)
InChIKeyAQOSWMFHFVXEDT-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.85
Rot. Bonds7

About N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide

N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 83110912) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID83110912
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCNC(=O)N(C)C
InChIInChI=1S/C10H20N4O2/c1-4-5-11-8-9(15)12-6-7-13-10(16)14(2)3/h4,11H,1,5-8H2,2-3H3,(H,12,15)(H,13,16)
InChIKeyAQOSWMFHFVXEDT-UHFFFAOYSA-N
XLogP-0.85
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
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-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285589
N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
CID 83117465
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
2-(prop-2-enylamino)-N-(3-sulfamoylpropyl)acetamide
CID 79280560
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
CID 83111812
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83111457
N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide
CID 115360356
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
N-(3-phenylbutyl)-2-(prop-2-enylamino)acetamide
CID 79280576
3-[2-[[(E)-4-chlorobut-2-enyl]amino]ethyl]-1,1-dimethylurea
CID 83121574
3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea
CID 83120350

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide (CID 83110912) is N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCCNC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is AQOSWMFHFVXEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-4-5-11-8-9(15)12-6-7-13-10(16)14(2)3/h4,11H,1,5-8H2,2-3H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide?
N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 228.30 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 83110912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).