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

C19H21NO2 — CID 25255130

IUPACN-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide
SMILESCOc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C2(C)C)cc1
InChIInChI=1S/C19H21NO2/c1-19(2)16(13-9-11-15(22-3)12-10-13)17(19)20-18(21)14-7-5-4-6-8-14/h4-12,16-17H,1-3H3,(H,20,21)/t16-,17-/m0/s1
InChIKeyIVEMHCKRGQLXQB-IRXDYDNUSA-N
MW295.38 g/mol
LogP3.62
Rot. Bonds4

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

N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide (PubChem CID 25255130) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide
PubChem CID25255130
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide
SMILESCOc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C2(C)C)cc1
InChIInChI=1S/C19H21NO2/c1-19(2)16(13-9-11-15(22-3)12-10-13)17(19)20-18(21)14-7-5-4-6-8-14/h4-12,16-17H,1-3H3,(H,20,21)/t16-,17-/m0/s1
InChIKeyIVEMHCKRGQLXQB-IRXDYDNUSA-N
XLogP3.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-4-methylbenzamide
CID 68581834
2-methoxy-N-[(1R,3S)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]-5-methylbenzamide
CID 68584463
dimethyl (2R,3S,4S,5R)-4-benzamido-3-(4-methoxyphenyl)-5-phenylpyrrolidine-2,4-dicarboxylate
CID 71665023
N-[(1Z,4R,5R)-1-[(4-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-4-yl]benzamide
CID 126067465
N-[(1Z,4S,5S)-1-[(4-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-4-yl]benzamide
CID 126067466
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
[(4R,5R)-5-(4-methoxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12504152
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
4-methoxy-N-[(4S,5S)-3-oxo-5-phenylpyrazolidin-4-yl]benzamide
CID 126061360
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-[(1Z,4R,5R)-5-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methylidene]-3-oxopyrazolidin-1-ium-4-yl]benzamide
CID 126062789

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide?
The IUPAC name of N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide (CID 25255130) is N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide.
What is the SMILES notation for N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide?
The canonical SMILES for N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide is COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C2(C)C)cc1.
What is the InChIKey of N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide?
The InChIKey is IVEMHCKRGQLXQB-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2)16(13-9-11-15(22-3)12-10-13)17(19)20-18(21)14-7-5-4-6-8-14/h4-12,16-17H,1-3H3,(H,20,21)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide?
N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide has a molecular weight of 295.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(4-methoxyphenyl)-2,2-dimethylcyclopropyl]benzamide is sourced from PubChem (CID 25255130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).