N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C18H24N2O — CID 46560236

IUPACN-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCC(CC)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H24N2O/c1-3-13(4-2)19-18(21)12-9-10-17-15(11-12)14-7-5-6-8-16(14)20-17/h9-11,13,20H,3-8H2,1-2H3,(H,19,21)
InChIKeySHCZGYVQNRMNOB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.97
Rot. Bonds4

About N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 46560236) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID46560236
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCC(CC)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H24N2O/c1-3-13(4-2)19-18(21)12-9-10-17-15(11-12)14-7-5-6-8-16(14)20-17/h9-11,13,20H,3-8H2,1-2H3,(H,19,21)
InChIKeySHCZGYVQNRMNOB-UHFFFAOYSA-N
XLogP3.97
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.97
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

N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(2-pyrrolidin-1-ylbutyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43064788
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 94129990
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 156841300
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310
N-[4-(4-ethylpiperazin-1-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42239539
N'-(1,3-benzodioxole-5-carbonyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 34255025
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 71929435
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
CID 3428305

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 46560236) is N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCC(CC)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is SHCZGYVQNRMNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-13(4-2)19-18(21)12-9-10-17-15(11-12)14-7-5-6-8-16(14)20-17/h9-11,13,20H,3-8H2,1-2H3,(H,19,21).
What are the key properties of N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 46560236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).