ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide

C24H35N3O2 — CID 142041158

IUPACethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide
SMILESCC.CCN(CCNc1cccc(C(N)=O)c1)C1Cc2c(C)cccc2CC1O
InChIInChI=1S/C22H29N3O2.C2H6/c1-3-25(11-10-24-18-9-5-8-17(12-18)22(23)27)20-14-19-15(2)6-4-7-16(19)13-21(20)26;1-2/h4-9,12,20-21,24,26H,3,10-11,13-14H2,1-2H3,(H2,23,27);1-2H3
InChIKeyNIFFKKOQZZFYMD-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.38
Rot. Bonds7

About ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide

ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide (PubChem CID 142041158) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide.

Molecular Properties

Compound Nameethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide
PubChem CID142041158
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Nameethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide
SMILESCC.CCN(CCNc1cccc(C(N)=O)c1)C1Cc2c(C)cccc2CC1O
InChIInChI=1S/C22H29N3O2.C2H6/c1-3-25(11-10-24-18-9-5-8-17(12-18)22(23)27)20-14-19-15(2)6-4-7-16(19)13-21(20)26;1-2/h4-9,12,20-21,24,26H,3,10-11,13-14H2,1-2H3,(H2,23,27);1-2H3
InChIKeyNIFFKKOQZZFYMD-UHFFFAOYSA-N
XLogP3.38
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(diethylamino)ethylamino]benzamide
CID 107811316
ethyl 3-(3-carbamoylanilino)propanoate
CID 114003548
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-(2-propan-2-ylsulfonylethylamino)benzamide
CID 114003703
ethyl 6-(3-carbamoylanilino)hexanoate
CID 107808980
3-[(2,4,6-trimethylphenyl)methylamino]benzamide
CID 28650483
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
CID 54842558
ethane;3-(methylamino)benzamide
CID 142071023
propyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096552
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701
3-(methylamino)benzamide
CID 18727714

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide?
The IUPAC name of ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide (CID 142041158) is ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide.
What is the SMILES notation for ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide?
The canonical SMILES for ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide is CC.CCN(CCNc1cccc(C(N)=O)c1)C1Cc2c(C)cccc2CC1O.
What is the InChIKey of ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide?
The InChIKey is NIFFKKOQZZFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2.C2H6/c1-3-25(11-10-24-18-9-5-8-17(12-18)22(23)27)20-14-19-15(2)6-4-7-16(19)13-21(20)26;1-2/h4-9,12,20-21,24,26H,3,10-11,13-14H2,1-2H3,(H2,23,27);1-2H3.
What are the key properties of ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide?
ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide has a molecular weight of 397.56 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-[ethyl-(3-hydroxy-8-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethylamino]benzamide is sourced from PubChem (CID 142041158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).