N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide

C21H23N3O3 — CID 112993925

IUPACN-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H23N3O3/c25-20(11-13-27-17-6-2-1-3-7-17)24-15-21(26)22-12-10-16-14-23-19-9-5-4-8-18(16)19/h1-9,14,23H,10-13,15H2,(H,22,26)(H,24,25)
InChIKeyCVMBCVLQVGGWRV-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.41
Rot. Bonds9

About N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide

N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide (PubChem CID 112993925) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
PubChem CID112993925
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H23N3O3/c25-20(11-13-27-17-6-2-1-3-7-17)24-15-21(26)22-12-10-16-14-23-19-9-5-4-8-18(16)19/h1-9,14,23H,10-13,15H2,(H,22,26)(H,24,25)
InChIKeyCVMBCVLQVGGWRV-UHFFFAOYSA-N
XLogP2.41
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-N-(2-phenoxyethyl)propanamide
CID 4879910
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenoxypropanamide
CID 110731483
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018351
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993396
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide (CID 112993925) is N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide?
The InChIKey is CVMBCVLQVGGWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-20(11-13-27-17-6-2-1-3-7-17)24-15-21(26)22-12-10-16-14-23-19-9-5-4-8-18(16)19/h1-9,14,23H,10-13,15H2,(H,22,26)(H,24,25).
What are the key properties of N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide?
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide has a molecular weight of 365.43 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-3-phenoxypropanamide is sourced from PubChem (CID 112993925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).