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

C19H23NO3 — CID 15453092

IUPACN-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide
SMILESCCCC(=O)N[C@@H]1C[C@H]1c1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C19H23NO3/c1-4-5-18(21)20-16-11-15(16)19-14-10-13(22-2)8-6-12(14)7-9-17(19)23-3/h6-10,15-16H,4-5,11H2,1-3H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyIENJHAXVWIFWFT-HZPDHXFCSA-N
MW313.40 g/mol
LogP3.63
Rot. Bonds6

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

N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide (PubChem CID 15453092) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide
PubChem CID15453092
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide
SMILESCCCC(=O)N[C@@H]1C[C@H]1c1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C19H23NO3/c1-4-5-18(21)20-16-11-15(16)19-14-10-13(22-2)8-6-12(14)7-9-17(19)23-3/h6-10,15-16H,4-5,11H2,1-3H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyIENJHAXVWIFWFT-HZPDHXFCSA-N
XLogP3.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-methoxynaphthalen-1-yl)cyclopropyl]cyclopropanecarboxamide
CID 10221363
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 133132214
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
N-[2-(butanoylamino)cyclopropyl]butanamide
CID 123475360
ethyl (4S)-4-(2,7-dimethoxynaphthalen-1-yl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1270992
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
N-[[1-(7-methoxynaphthalen-1-yl)cyclopropyl]methyl]butanamide
CID 141379403
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
CID 91797072
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide?
The IUPAC name of N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide (CID 15453092) is N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide.
What is the SMILES notation for N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide?
The canonical SMILES for N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide is CCCC(=O)N[C@@H]1C[C@H]1c1c(OC)ccc2ccc(OC)cc12.
What is the InChIKey of N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide?
The InChIKey is IENJHAXVWIFWFT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-5-18(21)20-16-11-15(16)19-14-10-13(22-2)8-6-12(14)7-9-17(19)23-3/h6-10,15-16H,4-5,11H2,1-3H3,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide?
N-[(1R,2S)-2-(2,7-dimethoxynaphthalen-1-yl)cyclopropyl]butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.63, 6 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]butanamide is sourced from PubChem (CID 15453092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).