N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide

C16H20N2O3 — CID 110871467

IUPACN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H20N2O3/c1-21-14-5-3-2-4-13(14)15(19)17-12-8-9-18(10-12)16(20)11-6-7-11/h2-5,11-12H,6-10H2,1H3,(H,17,19)
InChIKeyZCUYRSMHZLTGNM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.44
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide

N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide (PubChem CID 110871467) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
PubChem CID110871467
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(C(=O)C2CC2)C1
InChIInChI=1S/C16H20N2O3/c1-21-14-5-3-2-4-13(14)15(19)17-12-8-9-18(10-12)16(20)11-6-7-11/h2-5,11-12H,6-10H2,1H3,(H,17,19)
InChIKeyZCUYRSMHZLTGNM-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108549239

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide (CID 110871467) is N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCN(C(=O)C2CC2)C1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide?
The InChIKey is ZCUYRSMHZLTGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-14-5-3-2-4-13(14)15(19)17-12-8-9-18(10-12)16(20)11-6-7-11/h2-5,11-12H,6-10H2,1H3,(H,17,19).
What are the key properties of N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide?
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide has a molecular weight of 288.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 110871467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).