2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene

C25H24N4O2 — CID 144743772

IUPAC2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene
SMILESN#Cc1ccc2c(c1)C(N(CC(N)=O)C(=O)c1ccccc1N)CC2.c1ccccc1
InChIInChI=1S/C19H18N4O2.C6H6/c20-10-12-5-6-13-7-8-17(15(13)9-12)23(11-18(22)24)19(25)14-3-1-2-4-16(14)21;1-2-4-6-5-3-1/h1-6,9,17H,7-8,11,21H2,(H2,22,24);1-6H
InChIKeyRPCXNZCOXRWWLL-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.44
Rot. Bonds4

About 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene

2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene (PubChem CID 144743772) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene
PubChem CID144743772
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene
SMILESN#Cc1ccc2c(c1)C(N(CC(N)=O)C(=O)c1ccccc1N)CC2.c1ccccc1
InChIInChI=1S/C19H18N4O2.C6H6/c20-10-12-5-6-13-7-8-17(15(13)9-12)23(11-18(22)24)19(25)14-3-1-2-4-16(14)21;1-2-4-6-5-3-1/h1-6,9,17H,7-8,11,21H2,(H2,22,24);1-6H
InChIKeyRPCXNZCOXRWWLL-UHFFFAOYSA-N
XLogP3.44
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene (CID 144743772) is 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene is N#Cc1ccc2c(c1)C(N(CC(N)=O)C(=O)c1ccccc1N)CC2.c1ccccc1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene?
The InChIKey is RPCXNZCOXRWWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.C6H6/c20-10-12-5-6-13-7-8-17(15(13)9-12)23(11-18(22)24)19(25)14-3-1-2-4-16(14)21;1-2-4-6-5-3-1/h1-6,9,17H,7-8,11,21H2,(H2,22,24);1-6H.
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene?
2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene has a molecular weight of 412.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-N-(6-cyano-2,3-dihydro-1H-inden-1-yl)benzamide;benzene is sourced from PubChem (CID 144743772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).