N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide

C21H21N3O2 — CID 84579834

IUPACN-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)CNC(=O)c1ccccc1)C3
InChIInChI=1S/C21H21N3O2/c1-13-7-8-18-16(9-13)17-10-15(11-19(17)24-18)23-20(25)12-22-21(26)14-5-3-2-4-6-14/h2-9,15,24H,10-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyYZDZRFNNKOUIGC-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.49
Rot. Bonds4

About N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide

N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 84579834) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID84579834
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCc1ccc2[nH]c3c(c2c1)CC(NC(=O)CNC(=O)c1ccccc1)C3
InChIInChI=1S/C21H21N3O2/c1-13-7-8-18-16(9-13)17-10-15(11-19(17)24-18)23-20(25)12-22-21(26)14-5-3-2-4-6-14/h2-9,15,24H,10-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyYZDZRFNNKOUIGC-UHFFFAOYSA-N
XLogP2.49
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)propanamide
CID 84581192
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-4-oxopentanamide
CID 84581772
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
3-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582019
2-(4-methylphenoxy)-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582539
N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)-2-(trifluoromethyl)benzamide
CID 84579548
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenylpropanamide
CID 84580220
N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)-3-phenoxypropanamide
CID 84579968
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542
benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84582311

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide (CID 84579834) is N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide is Cc1ccc2[nH]c3c(c2c1)CC(NC(=O)CNC(=O)c1ccccc1)C3.
What is the InChIKey of N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is YZDZRFNNKOUIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-7-8-18-16(9-13)17-10-15(11-19(17)24-18)23-20(25)12-22-21(26)14-5-3-2-4-6-14/h2-9,15,24H,10-12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide?
N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 84579834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).