N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide

C20H23NO2 — CID 68581834

IUPACN-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide
SMILESCOc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C2(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-13-5-7-15(8-6-13)19(22)21-18-17(20(18,2)3)14-9-11-16(23-4)12-10-14/h5-12,17-18H,1-4H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyXERMFFMMJMGHKE-QZTJIDSGSA-N
MW309.41 g/mol
LogP3.93
Rot. Bonds4

About N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide

N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide (PubChem CID 68581834) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide
PubChem CID68581834
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide
SMILESCOc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C2(C)C)cc1
InChIInChI=1S/C20H23NO2/c1-13-5-7-15(8-6-13)19(22)21-18-17(20(18,2)3)14-9-11-16(23-4)12-10-14/h5-12,17-18H,1-4H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyXERMFFMMJMGHKE-QZTJIDSGSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide
CID 25255130
2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
CID 68584463
N-[(3S,4R)-3-(4-methoxyphenyl)-5-oxopyrazolidin-4-yl]-4-methylbenzamide
CID 124664282
3,4-dichloro-N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]benzamide
CID 68585010
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
N-[(1Z,4R,5R)-1-[(4-methoxyphenyl)methylidene]-5-(4-methylphenyl)-3-oxopyrazolidin-1-ium-4-yl]-4-methylbenzamide
CID 126061162
4-methoxy-N-[[4-[[(4-methylphenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]benzamide
CID 23732897
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
N-[(1Z,4S,5S)-1-[(4-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-4-yl]-4-methylbenzamide
CID 126063710
N-[(1Z,4S,5R)-5-(4-chlorophenyl)-1-[(4-methylphenyl)methylidene]-3-oxopyrazolidin-1-ium-4-yl]-4-methoxybenzamide
CID 126064373

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide?
The IUPAC name of N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide (CID 68581834) is N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide is COc1ccc([C@@H]2[C@@H](NC(=O)c3ccc(C)cc3)C2(C)C)cc1.
What is the InChIKey of N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide?
The InChIKey is XERMFFMMJMGHKE-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13-5-7-15(8-6-13)19(22)21-18-17(20(18,2)3)14-9-11-16(23-4)12-10-14/h5-12,17-18H,1-4H3,(H,21,22)/t17-,18-/m1/s1.
What are the key properties of N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide?
N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide is sourced from PubChem (CID 68581834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).