N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide

C30H33N3O5 — CID 18709628

IUPACN-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1OC)C(C)=O
InChIInChI=1S/C30H33N3O5/c1-21(34)33(18-22-10-4-7-13-27(22)36-2)19-24(16-23-17-31-26-12-6-5-11-25(23)26)32-30(35)20-38-29-15-9-8-14-28(29)37-3/h4-15,17,24,31H,16,18-20H2,1-3H3,(H,32,35)
InChIKeyOAHIKBKHNJMARY-UHFFFAOYSA-N
MW515.61 g/mol
LogP4.34
Rot. Bonds12

About N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide

N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 18709628) has the molecular formula C30H33N3O5 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID18709628
Molecular FormulaC30H33N3O5
Molecular Weight515.61 g/mol
Exact Mass515.24
IUPAC NameN-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1OC)C(C)=O
InChIInChI=1S/C30H33N3O5/c1-21(34)33(18-22-10-4-7-13-27(22)36-2)19-24(16-23-17-31-26-12-6-5-11-25(23)26)32-30(35)20-38-29-15-9-8-14-28(29)37-3/h4-15,17,24,31H,16,18-20H2,1-3H3,(H,32,35)
InChIKeyOAHIKBKHNJMARY-UHFFFAOYSA-N
XLogP4.34
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide (CID 18709628) is N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1CN(CC(Cc1c[nH]c2ccccc12)NC(=O)COc1ccccc1OC)C(C)=O.
What is the InChIKey of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is OAHIKBKHNJMARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O5/c1-21(34)33(18-22-10-4-7-13-27(22)36-2)19-24(16-23-17-31-26-12-6-5-11-25(23)26)32-30(35)20-38-29-15-9-8-14-28(29)37-3/h4-15,17,24,31H,16,18-20H2,1-3H3,(H,32,35).
What are the key properties of N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide?
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 515.61 g/mol, XLogP of 4.34, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 18709628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).