N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide

C19H27N3O3 — CID 133122454

IUPACN-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
SMILESCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@H](C2CC2)C1
InChIInChI=1S/C19H27N3O3/c1-12-4-5-14(8-17(12)25-3)19(24)21-16-10-22(11-18(23)20-2)9-15(16)13-6-7-13/h4-5,8,13,15-16H,6-7,9-11H2,1-3H3,(H,20,23)(H,21,24)/t15-,16+/m0/s1
InChIKeyFRJJQODDHRVESZ-JKSUJKDBSA-N
MW345.44 g/mol
LogP1.19
Rot. Bonds6

About N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide

N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide (PubChem CID 133122454) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
PubChem CID133122454
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
SMILESCNC(=O)CN1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@H](C2CC2)C1
InChIInChI=1S/C19H27N3O3/c1-12-4-5-14(8-17(12)25-3)19(24)21-16-10-22(11-18(23)20-2)9-15(16)13-6-7-13/h4-5,8,13,15-16H,6-7,9-11H2,1-3H3,(H,20,23)(H,21,24)/t15-,16+/m0/s1
InChIKeyFRJJQODDHRVESZ-JKSUJKDBSA-N
XLogP1.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-6-methoxy-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 154897935
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 6952784
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 11907103
N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide (CID 133122454) is N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide is CNC(=O)CN1C[C@@H](NC(=O)c2ccc(C)c(OC)c2)[C@H](C2CC2)C1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide?
The InChIKey is FRJJQODDHRVESZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12-4-5-14(8-17(12)25-3)19(24)21-16-10-22(11-18(23)20-2)9-15(16)13-6-7-13/h4-5,8,13,15-16H,6-7,9-11H2,1-3H3,(H,20,23)(H,21,24)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide?
N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-[2-(methylamino)-2-oxoethyl]pyrrolidin-3-yl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 133122454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).