N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide

C18H24N2O — CID 4612444

IUPACN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
SMILESCCCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H24N2O/c1-2-3-8-18(21)19-12-13-9-10-17-15(11-13)14-6-4-5-7-16(14)20-17/h9-11,20H,2-8,12H2,1H3,(H,19,21)
InChIKeyVXAAQOLFPZTIOX-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.85
Rot. Bonds5

About N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide

N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide (PubChem CID 4612444) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
PubChem CID4612444
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
SMILESCCCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H24N2O/c1-2-3-8-18(21)19-12-13-9-10-17-15(11-13)14-6-4-5-7-16(14)20-17/h9-11,20H,2-8,12H2,1H3,(H,19,21)
InChIKeyVXAAQOLFPZTIOX-UHFFFAOYSA-N
XLogP3.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
(4R)-4-(4-methylpiperazin-1-yl)-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 95557304
1-(2,6-diethylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 4220236
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305
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
1-methyl-6-oxo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyridazine-3-carboxamide
CID 56875329
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671
1-(2-cyanophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 8990549
2-amino-3-(1,2,3,4-tetrahydrocyclopenta[b]indol-7-yl)propanoic acid
CID 117362582
N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 172622961
1-(3-chlorophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 5082908

Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide (CID 4612444) is N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide is CCCCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide?
The InChIKey is VXAAQOLFPZTIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-3-8-18(21)19-12-13-9-10-17-15(11-13)14-6-4-5-7-16(14)20-17/h9-11,20H,2-8,12H2,1H3,(H,19,21).
What are the key properties of N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide?
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide has a molecular weight of 284.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide is sourced from PubChem (CID 4612444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).