N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide

C18H19N3O3 — CID 4789324

IUPACN-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O3/c22-17(8-10-20-18(23)16-6-3-11-24-16)19-9-7-13-12-21-15-5-2-1-4-14(13)15/h1-6,11-12,21H,7-10H2,(H,19,22)(H,20,23)
InChIKeyDQUYEDRFPYRIRB-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.24
Rot. Bonds7

About N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 4789324) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID4789324
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O3/c22-17(8-10-20-18(23)16-6-3-11-24-16)19-9-7-13-12-21-15-5-2-1-4-14(13)15/h1-6,11-12,21H,7-10H2,(H,19,22)(H,20,23)
InChIKeyDQUYEDRFPYRIRB-UHFFFAOYSA-N
XLogP2.24
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide (CID 4789324) is N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is DQUYEDRFPYRIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(8-10-20-18(23)16-6-3-11-24-16)19-9-7-13-12-21-15-5-2-1-4-14(13)15/h1-6,11-12,21H,7-10H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 4789324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).