N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide

C24H29N3O3 — CID 163339434

IUPACN-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
SMILESCN(C)c1cccc(C(=O)N2CCCC2COc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H29N3O3/c1-26(2)20-6-3-5-18(15-20)24(29)27-14-4-7-21(27)16-30-22-12-8-17(9-13-22)23(28)25-19-10-11-19/h3,5-6,8-9,12-13,15,19,21H,4,7,10-11,14,16H2,1-2H3,(H,25,28)
InChIKeyQYDPZQKPVCUBKK-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.33
Rot. Bonds7

About N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide

N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide (PubChem CID 163339434) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
PubChem CID163339434
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
SMILESCN(C)c1cccc(C(=O)N2CCCC2COc2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H29N3O3/c1-26(2)20-6-3-5-18(15-20)24(29)27-14-4-7-21(27)16-30-22-12-8-17(9-13-22)23(28)25-19-10-11-19/h3,5-6,8-9,12-13,15,19,21H,4,7,10-11,14,16H2,1-2H3,(H,25,28)
InChIKeyQYDPZQKPVCUBKK-UHFFFAOYSA-N
XLogP3.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[(2R)-1-(3,4-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 92900504
N-cyclopropyl-4-[[1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]benzamide
CID 50846517
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259
N-cyclopropyl-4-[(1-propanoylpyrrolidin-2-yl)methoxy]benzamide
CID 50846453
N-cyclopropyl-4-[[1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339701
N-cyclopropyl-4-[[1-[2-(trifluoromethoxy)benzoyl]pyrrolidin-2-yl]methoxy]benzamide
CID 163339566
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952
4-[[(2S)-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900674
4-[[(2S)-1-(3,5-dimethylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900638
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
[4-[[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900487
N-propan-2-yl-4-[[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]methoxy]benzamide
CID 163339987

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide (CID 163339434) is N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide is CN(C)c1cccc(C(=O)N2CCCC2COc2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide?
The InChIKey is QYDPZQKPVCUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-26(2)20-6-3-5-18(15-20)24(29)27-14-4-7-21(27)16-30-22-12-8-17(9-13-22)23(28)25-19-10-11-19/h3,5-6,8-9,12-13,15,19,21H,4,7,10-11,14,16H2,1-2H3,(H,25,28).
What are the key properties of N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide?
N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide has a molecular weight of 407.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[1-[3-(dimethylamino)benzoyl]pyrrolidin-2-yl]methoxy]benzamide is sourced from PubChem (CID 163339434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).