N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide

C17H20N2O3 — CID 57381766

IUPACN-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(NC(C)=O)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C17H20N2O3/c1-11(20)18-7-6-14-9-15(19-12(2)21)8-13-4-5-16(22-3)10-17(13)14/h4-5,8-10H,6-7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYAKYIRPZWISTPN-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide

N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 57381766) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID57381766
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide
SMILESCOc1ccc2cc(NC(C)=O)cc(CCNC(C)=O)c2c1
InChIInChI=1S/C17H20N2O3/c1-11(20)18-7-6-14-9-15(19-12(2)21)8-13-4-5-16(22-3)10-17(13)14/h4-5,8-10H,6-7H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyYAKYIRPZWISTPN-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide (CID 57381766) is N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide is COc1ccc2cc(NC(C)=O)cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is YAKYIRPZWISTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(20)18-7-6-14-9-15(19-12(2)21)8-13-4-5-16(22-3)10-17(13)14/h4-5,8-10H,6-7H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide?
N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamido-7-methoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 57381766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).