N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide

C16H23N3O3 — CID 124730854

IUPACN-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
SMILESCO[C@@H]1CCN(CCC(=O)Nc2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C16H23N3O3/c1-12(20)17-13-4-3-5-14(10-13)18-16(21)7-9-19-8-6-15(11-19)22-2/h3-5,10,15H,6-9,11H2,1-2H3,(H,17,20)(H,18,21)/t15-/m1/s1
InChIKeyQLCMDBSWAARAHR-OAHLLOKOSA-N
MW305.38 g/mol
LogP1.69
Rot. Bonds6

About N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide

N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide (PubChem CID 124730854) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
PubChem CID124730854
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
SMILESCO[C@@H]1CCN(CCC(=O)Nc2cccc(NC(C)=O)c2)C1
InChIInChI=1S/C16H23N3O3/c1-12(20)17-13-4-3-5-14(10-13)18-16(21)7-9-19-8-6-15(11-19)22-2/h3-5,10,15H,6-9,11H2,1-2H3,(H,17,20)(H,18,21)/t15-/m1/s1
InChIKeyQLCMDBSWAARAHR-OAHLLOKOSA-N
XLogP1.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530969
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
N-(3-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243967
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124752804
N-(3-carbamothioylphenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533707
N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
N-(3-aminophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 112624398
N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91831123
N-(3-acetamidophenyl)-3-[(1S,5R)-10-oxo-3,9-diazabicyclo[3.3.2]decan-3-yl]propanamide
CID 91830771
N-(4-cyanophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43243966

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide (CID 124730854) is N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide is CO[C@@H]1CCN(CCC(=O)Nc2cccc(NC(C)=O)c2)C1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide?
The InChIKey is QLCMDBSWAARAHR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(20)17-13-4-3-5-14(10-13)18-16(21)7-9-19-8-6-15(11-19)22-2/h3-5,10,15H,6-9,11H2,1-2H3,(H,17,20)(H,18,21)/t15-/m1/s1.
What are the key properties of N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide?
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide has a molecular weight of 305.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124730854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).