N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide

C18H23N3O — CID 5142375

IUPACN-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
SMILESCCCC1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O/c1-2-5-13-8-10-14(11-9-13)20-21-18(22)16-12-19-17-7-4-3-6-15(16)17/h3-4,6-7,12-13,19H,2,5,8-11H2,1H3,(H,21,22)/b20-14-
InChIKeyBMNFNAQXKBYDCT-ZHZULCJRSA-N
MW297.40 g/mol
LogP4.24
Rot. Bonds4

About N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide

N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide (PubChem CID 5142375) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
PubChem CID5142375
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
SMILESCCCC1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H23N3O/c1-2-5-13-8-10-14(11-9-13)20-21-18(22)16-12-19-17-7-4-3-6-15(16)17/h3-4,6-7,12-13,19H,2,5,8-11H2,1H3,(H,21,22)/b20-14-
InChIKeyBMNFNAQXKBYDCT-ZHZULCJRSA-N
XLogP4.24
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
CID 5146585
N-(2-propylcyclopropyl)-1H-indole-3-carboxamide
CID 113246085
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
CID 67661934
N-(2-cyanopropyl)-1H-indole-3-carboxamide
CID 62651700
N-[[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-1H-indole-3-carboxamide
CID 129438858
3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409

Frequently Asked Questions

What is the IUPAC name of N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide (CID 5142375) is N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide is CCCC1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide?
The InChIKey is BMNFNAQXKBYDCT-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H23N3O/c1-2-5-13-8-10-14(11-9-13)20-21-18(22)16-12-19-17-7-4-3-6-15(16)17/h3-4,6-7,12-13,19H,2,5,8-11H2,1H3,(H,21,22)/b20-14-.
What are the key properties of N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide?
N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5142375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).