N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide

C13H18N4O — CID 155150500

IUPACN-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide
SMILESCCN(CCC#N)c1ccc(N)c(NC(C)=O)c1
InChIInChI=1S/C13H18N4O/c1-3-17(8-4-7-14)11-5-6-12(15)13(9-11)16-10(2)18/h5-6,9H,3-4,8,15H2,1-2H3,(H,16,18)
InChIKeyCEKVCEPTXAUKHB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.97
Rot. Bonds5

About N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide

N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide (PubChem CID 155150500) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide
PubChem CID155150500
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide
SMILESCCN(CCC#N)c1ccc(N)c(NC(C)=O)c1
InChIInChI=1S/C13H18N4O/c1-3-17(8-4-7-14)11-5-6-12(15)13(9-11)16-10(2)18/h5-6,9H,3-4,8,15H2,1-2H3,(H,16,18)
InChIKeyCEKVCEPTXAUKHB-UHFFFAOYSA-N
XLogP1.97
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-amino-N-ethyl-3-(prop-1-en-2-ylamino)anilino]propanenitrile
CID 167055822
methyl 2-(3-acetamido-4-amino-N-ethylanilino)acetate
CID 129215644
2-[3-acetamido-4-amino-N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]ethyl 2-methylprop-2-enoate
CID 134354679
ethyl 2-(3-acetamido-4-amino-N-ethylanilino)propanoate
CID 138532691
4-amino-3-[2-cyanoethyl(ethyl)amino]benzamide
CID 63356818
3-(2-amino-N-ethyl-5-fluoroanilino)propanenitrile
CID 62377139
N-[5-[bis(2-cyanoethyl)amino]-2-[[4-nitro-2-(trifluoromethyl)phenyl]diazenyl]phenyl]acetamide
CID 15476022
3-[4-[(1E,4E)-5-[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]-3-oxopenta-1,4-dienyl]-N-ethyl-3-methylanilino]propanenitrile
CID 86294802
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
2-chloro-4-[2-cyanoethyl(ethyl)amino]benzonitrile
CID 62944335
3-(6-amino-N-ethyl-2,3-difluoroanilino)propanenitrile
CID 62532506
2-[4-[2-cyanoethyl(ethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
CID 3944015

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide?
The IUPAC name of N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide (CID 155150500) is N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide?
The canonical SMILES for N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide is CCN(CCC#N)c1ccc(N)c(NC(C)=O)c1.
What is the InChIKey of N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide?
The InChIKey is CEKVCEPTXAUKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-17(8-4-7-14)11-5-6-12(15)13(9-11)16-10(2)18/h5-6,9H,3-4,8,15H2,1-2H3,(H,16,18).
What are the key properties of N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide?
N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[2-cyanoethyl(ethyl)amino]phenyl]acetamide is sourced from PubChem (CID 155150500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).