N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide

C20H24N2O3 — CID 91794683

IUPACN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1-c1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1
InChIInChI=1S/C20H24N2O3/c1-22-12-17(19(13-22)25-3)21-20(23)15-10-8-14(9-11-15)16-6-4-5-7-18(16)24-2/h4-11,17,19H,12-13H2,1-3H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyLYORHANWDGFZPS-HKUYNNGSSA-N
MW340.42 g/mol
LogP2.42
Rot. Bonds5

About N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide

N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide (PubChem CID 91794683) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide
PubChem CID91794683
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1-c1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1
InChIInChI=1S/C20H24N2O3/c1-22-12-17(19(13-22)25-3)21-20(23)15-10-8-14(9-11-15)16-6-4-5-7-18(16)24-2/h4-11,17,19H,12-13H2,1-3H3,(H,21,23)/t17-,19-/m0/s1
InChIKeyLYORHANWDGFZPS-HKUYNNGSSA-N
XLogP2.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide
CID 91767092
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
N-[(3R,4R)-4-ethoxy-1-methylpyrrolidin-3-yl]-2-(2-methoxyphenyl)acetamide
CID 133268518
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 91770296
2-(3-fluorophenyl)-N-(4-methoxy-1-methylpyrrolidin-3-yl)-1,3-benzoxazole-5-carboxamide
CID 156605158
tert-butyl 4-(2-methoxyphenyl)benzoate
CID 134941633
4-[4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoyl)phenyl]-3-methoxybenzoic acid
CID 131929147
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538
5-(2-chlorophenyl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]furan-2-carboxamide
CID 70786517
4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 91776202
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide
CID 163314602

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide (CID 91794683) is N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide is COc1ccccc1-c1ccc(C(=O)N[C@H]2CN(C)C[C@@H]2OC)cc1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide?
The InChIKey is LYORHANWDGFZPS-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-22-12-17(19(13-22)25-3)21-20(23)15-10-8-14(9-11-15)16-6-4-5-7-18(16)24-2/h4-11,17,19H,12-13H2,1-3H3,(H,21,23)/t17-,19-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide?
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 91794683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).