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

C16H24N2O3 — CID 91767092

IUPACN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)N[C@H]1CN(C)C[C@@H]1OC
InChIInChI=1S/C16H24N2O3/c1-4-9-21-14-8-6-5-7-12(14)16(19)17-13-10-18(2)11-15(13)20-3/h5-8,13,15H,4,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyBSPIYECKEBHFJB-ZFWWWQNUSA-N
MW292.38 g/mol
LogP1.53
Rot. Bonds6

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

N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide (PubChem CID 91767092) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide
PubChem CID91767092
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)N[C@H]1CN(C)C[C@@H]1OC
InChIInChI=1S/C16H24N2O3/c1-4-9-21-14-8-6-5-7-12(14)16(19)17-13-10-18(2)11-15(13)20-3/h5-8,13,15H,4,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1
InChIKeyBSPIYECKEBHFJB-ZFWWWQNUSA-N
XLogP1.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-propoxybenzamide;2,2,2-trifluoroacetic acid
CID 45381613
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
CID 104659366
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
2-propoxy-N-propylbenzamide
CID 58831728
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
N-(1-methylpiperidin-4-yl)-2-(2-phenoxyethoxy)benzamide
CID 78809424
2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 70049058
N-butan-2-yl-2-propoxybenzamide
CID 71581291

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide (CID 91767092) is N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)N[C@H]1CN(C)C[C@@H]1OC.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide?
The InChIKey is BSPIYECKEBHFJB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-9-21-14-8-6-5-7-12(14)16(19)17-13-10-18(2)11-15(13)20-3/h5-8,13,15H,4,9-11H2,1-3H3,(H,17,19)/t13-,15-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide?
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-propoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.53, 6 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]-2-propoxybenzamide is sourced from PubChem (CID 91767092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).