3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide

C18H26N2O4 — CID 51181691

IUPAC3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCCC(=O)N2CCCC2)ccc1OC(C)C
InChIInChI=1S/C18H26N2O4/c1-13(2)24-15-7-6-14(12-16(15)23-3)18(22)19-9-8-17(21)20-10-4-5-11-20/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyURRUGPHVOYGMBM-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.22
Rot. Bonds7

About 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide

3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide (PubChem CID 51181691) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide
PubChem CID51181691
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NCCC(=O)N2CCCC2)ccc1OC(C)C
InChIInChI=1S/C18H26N2O4/c1-13(2)24-15-7-6-14(12-16(15)23-3)18(22)19-9-8-17(21)20-10-4-5-11-20/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,22)
InChIKeyURRUGPHVOYGMBM-UHFFFAOYSA-N
XLogP2.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803051
methyl 2-[2-methoxy-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenoxy]acetate
CID 55773755
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dimethoxybenzamide
CID 110371011
N-(3-cyclohexyloxypropyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46613191
3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249605
3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55653874
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
3-methoxy-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 55381469
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55588222
4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55349529
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide (CID 51181691) is 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide is COc1cc(C(=O)NCCC(=O)N2CCCC2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide?
The InChIKey is URRUGPHVOYGMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)24-15-7-6-14(12-16(15)23-3)18(22)19-9-8-17(21)20-10-4-5-11-20/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,22).
What are the key properties of 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide?
3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide has a molecular weight of 334.42 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 51181691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).