2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide

C19H27N3O2 — CID 69239714

IUPAC2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NC[C@@H]2CN[C@H](C(=O)N3CCCC3)C2)c1C
InChIInChI=1S/C19H27N3O2/c1-13-6-5-7-16(14(13)2)18(23)21-12-15-10-17(20-11-15)19(24)22-8-3-4-9-22/h5-7,15,17,20H,3-4,8-12H2,1-2H3,(H,21,23)/t15-,17-/m0/s1
InChIKeyYFIDRVPTJYUAOF-RDJZCZTQSA-N
MW329.44 g/mol
LogP1.63
Rot. Bonds4

About 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide

2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 69239714) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID69239714
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NC[C@@H]2CN[C@H](C(=O)N3CCCC3)C2)c1C
InChIInChI=1S/C19H27N3O2/c1-13-6-5-7-16(14(13)2)18(23)21-12-15-10-17(20-11-15)19(24)22-8-3-4-9-22/h5-7,15,17,20H,3-4,8-12H2,1-2H3,(H,21,23)/t15-,17-/m0/s1
InChIKeyYFIDRVPTJYUAOF-RDJZCZTQSA-N
XLogP1.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69242771
3-bromo-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241746
N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-3-(trifluoromethoxy)benzamide
CID 69244116
2-methoxy-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241258
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
2-bromo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 69241009
2,2-difluoro-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 91286913
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 11659739
(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649892
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
CID 122159096
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-indole-3-carboxamide
CID 11696157

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide (CID 69239714) is 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide is Cc1cccc(C(=O)NC[C@@H]2CN[C@H](C(=O)N3CCCC3)C2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is YFIDRVPTJYUAOF-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-6-5-7-16(14(13)2)18(23)21-12-15-10-17(20-11-15)19(24)22-8-3-4-9-22/h5-7,15,17,20H,3-4,8-12H2,1-2H3,(H,21,23)/t15-,17-/m0/s1.
What are the key properties of 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide?
2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 69239714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).