N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

C23H25N3O3 — CID 71926324

IUPACN-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3ccc(NC(=O)C4CC4)cc3)c2c1
InChIInChI=1S/C23H25N3O3/c1-29-19-8-9-21-20(13-19)17(14-25-21)10-11-24-22(27)12-15-2-6-18(7-3-15)26-23(28)16-4-5-16/h2-3,6-9,13-14,16,25H,4-5,10-12H2,1H3,(H,24,27)(H,26,28)
InChIKeySLVVNUPKBZRJLK-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.43
Rot. Bonds8

About N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide

N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (PubChem CID 71926324) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
PubChem CID71926324
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)Cc3ccc(NC(=O)C4CC4)cc3)c2c1
InChIInChI=1S/C23H25N3O3/c1-29-19-8-9-21-20(13-19)17(14-25-21)10-11-24-22(27)12-15-2-6-18(7-3-15)26-23(28)16-4-5-16/h2-3,6-9,13-14,16,25H,4-5,10-12H2,1H3,(H,24,27)(H,26,28)
InChIKeySLVVNUPKBZRJLK-UHFFFAOYSA-N
XLogP3.43
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 23605243
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
CID 14181017
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72928968
N-(4-bromophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
CID 177382643

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide (CID 71926324) is N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is COc1ccc2[nH]cc(CCNC(=O)Cc3ccc(NC(=O)C4CC4)cc3)c2c1.
What is the InChIKey of N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is SLVVNUPKBZRJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-19-8-9-21-20(13-19)17(14-25-21)10-11-24-22(27)12-15-2-6-18(7-3-15)26-23(28)16-4-5-16/h2-3,6-9,13-14,16,25H,4-5,10-12H2,1H3,(H,24,27)(H,26,28).
What are the key properties of N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide?
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 71926324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).