N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide

C10H16N4O2 — CID 43401906

IUPACN-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
SMILESN#CCCNC(=O)CNCC(=O)NC1CC1
InChIInChI=1S/C10H16N4O2/c11-4-1-5-13-9(15)6-12-7-10(16)14-8-2-3-8/h8,12H,1-3,5-7H2,(H,13,15)(H,14,16)
InChIKeyCUQKRQAAFHERDI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.12
Rot. Bonds7

About N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide

N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide (PubChem CID 43401906) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
PubChem CID43401906
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
SMILESN#CCCNC(=O)CNCC(=O)NC1CC1
InChIInChI=1S/C10H16N4O2/c11-4-1-5-13-9(15)6-12-7-10(16)14-8-2-3-8/h8,12H,1-3,5-7H2,(H,13,15)(H,14,16)
InChIKeyCUQKRQAAFHERDI-UHFFFAOYSA-N
XLogP-1.12
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetic acid
CID 43466149
N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
N-(2-cyanoethyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695587
N-cyclopropyl-3-[[2-(ethylamino)acetyl]amino]propanamide
CID 79400683
N-(2-cyanoethyl)-2-(2-cyclopropylpropan-2-ylamino)acetamide
CID 104577956
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 79401221
2-(1-azabicyclo[2.2.2]octan-3-ylamino)-N-(2-cyanoethyl)acetamide
CID 43180244
3-(cyanomethylamino)-N-cyclopropylpropanamide
CID 79394850
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
CID 60972076
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]propanoic acid
CID 43466674
N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586646
N-(2-cyanoethyl)-2-[2-(2-hydroxyethoxy)ethylamino]acetamide
CID 60689523

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide (CID 43401906) is N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide is N#CCCNC(=O)CNCC(=O)NC1CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide?
The InChIKey is CUQKRQAAFHERDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-4-1-5-13-9(15)6-12-7-10(16)14-8-2-3-8/h8,12H,1-3,5-7H2,(H,13,15)(H,14,16).
What are the key properties of N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide?
N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide has a molecular weight of 224.26 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 43401906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).