N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide

C19H24N4O3 — CID 36972876

IUPACN-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)NCCNC(=O)c1ccco1
InChIInChI=1S/C19H24N4O3/c24-18(17-7-3-14-26-17)20-10-11-22-19(25)21-9-4-12-23-13-8-15-5-1-2-6-16(15)23/h1-3,5-7,14H,4,8-13H2,(H,20,24)(H2,21,22,25)
InChIKeyAHIJMSKNQPHRCE-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.76
Rot. Bonds8

About N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide

N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide (PubChem CID 36972876) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
PubChem CID36972876
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide
SMILESO=C(NCCCN1CCc2ccccc21)NCCNC(=O)c1ccco1
InChIInChI=1S/C19H24N4O3/c24-18(17-7-3-14-26-17)20-10-11-22-19(25)21-9-4-12-23-13-8-15-5-1-2-6-16(15)23/h1-3,5-7,14H,4,8-13H2,(H,20,24)(H2,21,22,25)
InChIKeyAHIJMSKNQPHRCE-UHFFFAOYSA-N
XLogP1.76
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]furan-2-carboxamide
CID 39614119
N-[3-(2,3-dihydroindol-1-yl)propyl]prop-2-enamide
CID 61251337
N-[2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 110984363
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 39046356
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
1-[3-(2,3-dihydroindol-1-yl)propyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55578136
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]benzamide
CID 119851205
N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 38552373
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43208035

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide (CID 36972876) is N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide is O=C(NCCCN1CCc2ccccc21)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide?
The InChIKey is AHIJMSKNQPHRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18(17-7-3-14-26-17)20-10-11-22-19(25)21-9-4-12-23-13-8-15-5-1-2-6-16(15)23/h1-3,5-7,14H,4,8-13H2,(H,20,24)(H2,21,22,25).
What are the key properties of N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide?
N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,3-dihydroindol-1-yl)propylcarbamoylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 36972876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).