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

C17H19NO3 — CID 15453090

IUPACN-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide
SMILESCOc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1
InChIInChI=1S/C17H19NO3/c1-10(19)18-15-9-14(15)17-13-8-12(20-2)6-4-11(13)5-7-16(17)21-3/h4-8,14-15H,9H2,1-3H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyVJGODNYYEUTWJZ-HUUCEWRRSA-N
MW285.34 g/mol
LogP2.85
Rot. Bonds4

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

N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide (PubChem CID 15453090) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide
PubChem CID15453090
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide
SMILESCOc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1
InChIInChI=1S/C17H19NO3/c1-10(19)18-15-9-14(15)17-13-8-12(20-2)6-4-11(13)5-7-16(17)21-3/h4-8,14-15H,9H2,1-3H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyVJGODNYYEUTWJZ-HUUCEWRRSA-N
XLogP2.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide?
The IUPAC name of N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide (CID 15453090) is N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide is COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1.
What is the InChIKey of N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide?
The InChIKey is VJGODNYYEUTWJZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H19NO3/c1-10(19)18-15-9-14(15)17-13-8-12(20-2)6-4-11(13)5-7-16(17)21-3/h4-8,14-15H,9H2,1-3H3,(H,18,19)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide?
N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide has a molecular weight of 285.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]acetamide is sourced from PubChem (CID 15453090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).