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

C14H18N4O2 — CID 60972076

IUPAC2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C14H18N4O2/c15-7-4-8-17-13(19)10-16-11-14(20)18-9-12-5-2-1-3-6-12/h1-3,5-6,16H,4,8-11H2,(H,17,19)(H,18,20)
InChIKeyIREOUFUCFRSLND-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.08
Rot. Bonds8

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

2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide (PubChem CID 60972076) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
PubChem CID60972076
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)CNCC(=O)NCc1ccccc1
InChIInChI=1S/C14H18N4O2/c15-7-4-8-17-13(19)10-16-11-14(20)18-9-12-5-2-1-3-6-12/h1-3,5-6,16H,4,8-11H2,(H,17,19)(H,18,20)
InChIKeyIREOUFUCFRSLND-UHFFFAOYSA-N
XLogP-0.08
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.08
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-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
CID 60688303
N-benzyl-2-[[1-(cyanomethyl)cyclopropyl]methylamino]acetamide
CID 65495607
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341
N-(2-cyanoethyl)-2-(thiophen-3-ylmethylamino)acetamide
CID 60976742
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
N-benzyl-2-(2-cyanoethylsulfonyl)acetamide
CID 82181512
N-(2-cyanoethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 28573424
N-benzyl-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 60971311
2-[(4-bromonaphthalen-1-yl)amino]-N-(2-cyanoethyl)acetamide
CID 115897513
N-benzyl-2-hydrazinylacetamide
CID 15514349

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide (CID 60972076) is 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)CNCC(=O)NCc1ccccc1.
What is the InChIKey of 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide?
The InChIKey is IREOUFUCFRSLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-7-4-8-17-13(19)10-16-11-14(20)18-9-12-5-2-1-3-6-12/h1-3,5-6,16H,4,8-11H2,(H,17,19)(H,18,20).
What are the key properties of 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide?
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylamino)-2-oxoethyl]amino]-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 60972076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).