N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide

C16H17NO2 — CID 15453084

IUPACN-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide
SMILESCOc1ccc2cccc([C@@H]3C[C@H]3NC(C)=O)c2c1
InChIInChI=1S/C16H17NO2/c1-10(18)17-16-9-15(16)13-5-3-4-11-6-7-12(19-2)8-14(11)13/h3-8,15-16H,9H2,1-2H3,(H,17,18)/t15-,16+/m0/s1
InChIKeyDXPRLOUMNJZFPU-JKSUJKDBSA-N
MW255.32 g/mol
LogP2.84
Rot. Bonds3

About N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide

N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide (PubChem CID 15453084) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide
PubChem CID15453084
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide
SMILESCOc1ccc2cccc([C@@H]3C[C@H]3NC(C)=O)c2c1
InChIInChI=1S/C16H17NO2/c1-10(18)17-16-9-15(16)13-5-3-4-11-6-7-12(19-2)8-14(11)13/h3-8,15-16H,9H2,1-2H3,(H,17,18)/t15-,16+/m0/s1
InChIKeyDXPRLOUMNJZFPU-JKSUJKDBSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide?
The IUPAC name of N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide (CID 15453084) is N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide is COc1ccc2cccc([C@@H]3C[C@H]3NC(C)=O)c2c1.
What is the InChIKey of N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide?
The InChIKey is DXPRLOUMNJZFPU-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10(18)17-16-9-15(16)13-5-3-4-11-6-7-12(19-2)8-14(11)13/h3-8,15-16H,9H2,1-2H3,(H,17,18)/t15-,16+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide?
N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(7-methoxynaphthalen-1-yl)cyclopropyl]acetamide is sourced from PubChem (CID 15453084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).