N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide

C21H23N3O3 — CID 108985760

IUPACN-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
SMILESCC(C)Oc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O3/c1-14(2)27-17-9-7-16(8-10-17)24-21(26)20(25)22-12-11-15-13-23-19-6-4-3-5-18(15)19/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyAEPGJUNKXVPRLQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.25
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide

N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide (PubChem CID 108985760) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
PubChem CID108985760
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide
SMILESCC(C)Oc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H23N3O3/c1-14(2)27-17-9-7-16(8-10-17)24-21(26)20(25)22-12-11-15-13-23-19-6-4-3-5-18(15)19/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyAEPGJUNKXVPRLQ-UHFFFAOYSA-N
XLogP3.25
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
N-[2-(1H-indol-3-yl)ethyl]-N'-propan-2-yloxamide
CID 2026350
N'-(2,6-diethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108511537
N-[2-(1H-indol-3-yl)ethyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 51043915
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopentanamide
CID 20668757
(2R)-2-(4-cyanophenoxy)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27645064
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483
4-[2-(1H-indol-3-yl)ethylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496413
1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]guanidine
CID 109493579
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide (CID 108985760) is N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide is CC(C)Oc1ccc(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide?
The InChIKey is AEPGJUNKXVPRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)27-17-9-7-16(8-10-17)24-21(26)20(25)22-12-11-15-13-23-19-6-4-3-5-18(15)19/h3-10,13-14,23H,11-12H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide?
N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide has a molecular weight of 365.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N'-(4-propan-2-yloxyphenyl)oxamide is sourced from PubChem (CID 108985760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).