N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide

C25H30N2O4 — CID 71912388

IUPACN-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide
SMILESCOCc1ccc(C(=O)N2CCC(N(C(=O)c3ccc(COC)cc3)C3CC3)C2)cc1
InChIInChI=1S/C25H30N2O4/c1-30-16-18-3-7-20(8-4-18)24(28)26-14-13-23(15-26)27(22-11-12-22)25(29)21-9-5-19(6-10-21)17-31-2/h3-10,22-23H,11-17H2,1-2H3
InChIKeySLNPESNZYCNROB-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.50
Rot. Bonds8

About N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide

N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide (PubChem CID 71912388) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide
PubChem CID71912388
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide
SMILESCOCc1ccc(C(=O)N2CCC(N(C(=O)c3ccc(COC)cc3)C3CC3)C2)cc1
InChIInChI=1S/C25H30N2O4/c1-30-16-18-3-7-20(8-4-18)24(28)26-14-13-23(15-26)27(22-11-12-22)25(29)21-9-5-19(6-10-21)17-31-2/h3-10,22-23H,11-17H2,1-2H3
InChIKeySLNPESNZYCNROB-UHFFFAOYSA-N
XLogP3.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124611915
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 115746439
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
azepan-1-yl-[1-[4-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029877
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546035
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120656789
(4aS,8aR)-6-[4-(methoxymethyl)benzoyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135744
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124590225
(4-bromophenyl)-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]methanone
CID 67038222
[4-(methoxymethyl)phenyl]-[(1S,7S)-7-methyl-1-oxo-1,4-thiazepan-4-yl]methanone
CID 100636286
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide (CID 71912388) is N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide is COCc1ccc(C(=O)N2CCC(N(C(=O)c3ccc(COC)cc3)C3CC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide?
The InChIKey is SLNPESNZYCNROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-30-16-18-3-7-20(8-4-18)24(28)26-14-13-23(15-26)27(22-11-12-22)25(29)21-9-5-19(6-10-21)17-31-2/h3-10,22-23H,11-17H2,1-2H3.
What are the key properties of N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide?
N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methoxymethyl)-N-[1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 71912388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).