N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide

C23H28N2O3 — CID 44582903

IUPACN-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)CC(c1cccc(NC(C)=O)c1)C2
InChIInChI=1S/C23H28N2O3/c1-15(26)24-10-9-19-12-20(11-18-7-8-22(28-3)14-23(18)19)17-5-4-6-21(13-17)25-16(2)27/h4-8,13-14,19-20H,9-12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBNKULXIEJQQXDY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.99
Rot. Bonds6

About N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide

N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide (PubChem CID 44582903) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide
PubChem CID44582903
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide
SMILESCOc1ccc2c(c1)C(CCNC(C)=O)CC(c1cccc(NC(C)=O)c1)C2
InChIInChI=1S/C23H28N2O3/c1-15(26)24-10-9-19-12-20(11-18-7-8-22(28-3)14-23(18)19)17-5-4-6-21(13-17)25-16(2)27/h4-8,13-14,19-20H,9-12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBNKULXIEJQQXDY-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide (CID 44582903) is N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide is COc1ccc2c(c1)C(CCNC(C)=O)CC(c1cccc(NC(C)=O)c1)C2.
What is the InChIKey of N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide?
The InChIKey is BNKULXIEJQQXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-15(26)24-10-9-19-12-20(11-18-7-8-22(28-3)14-23(18)19)17-5-4-6-21(13-17)25-16(2)27/h4-8,13-14,19-20H,9-12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide?
N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-acetamidophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]acetamide is sourced from PubChem (CID 44582903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).