3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide

C19H26N4O2 — CID 56867108

IUPAC3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
SMILESNC(=O)NCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3
InChIInChI=1S/C19H26N4O2/c20-19(25)21-10-9-18(24)22-12-13-7-8-17-15(11-13)14-5-3-1-2-4-6-16(14)23-17/h7-8,11,23H,1-6,9-10,12H2,(H,22,24)(H3,20,21,25)
InChIKeyOBITTYXKEGQBQQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.50
Rot. Bonds5

About 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide

3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide (PubChem CID 56867108) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
PubChem CID56867108
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
SMILESNC(=O)NCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3
InChIInChI=1S/C19H26N4O2/c20-19(25)21-10-9-18(24)22-12-13-7-8-17-15(11-13)14-5-3-1-2-4-6-16(14)23-17/h7-8,11,23H,1-6,9-10,12H2,(H,22,24)(H3,20,21,25)
InChIKeyOBITTYXKEGQBQQ-UHFFFAOYSA-N
XLogP2.50
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.50
H-Bond Donors ≤ 54
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-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 95557304
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117362582
[2-(benzylamino)-2-oxoethyl] 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 55321421
N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 172622961
6,7,8,9-tetrahydro-5H-carbazol-3-ylmethanamine
CID 3156790
1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 8990549
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzenesulfonamide
CID 4997944

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide?
The IUPAC name of 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide (CID 56867108) is 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide?
The canonical SMILES for 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide is NC(=O)NCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCCCC3.
What is the InChIKey of 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide?
The InChIKey is OBITTYXKEGQBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-19(25)21-10-9-18(24)22-12-13-7-8-17-15(11-13)14-5-3-1-2-4-6-16(14)23-17/h7-8,11,23H,1-6,9-10,12H2,(H,22,24)(H3,20,21,25).
What are the key properties of 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide?
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide is sourced from PubChem (CID 56867108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).