N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide

C22H27N3O3 — CID 144994040

IUPACN-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC[C@@H]2C[C@H](CNC(=O)c3ccccc3)CO2)c1
InChIInChI=1S/C22H27N3O3/c1-25(2)19-10-6-9-18(12-19)22(27)24-14-20-11-16(15-28-20)13-23-21(26)17-7-4-3-5-8-17/h3-10,12,16,20H,11,13-15H2,1-2H3,(H,23,26)(H,24,27)/t16-,20+/m1/s1
InChIKeyGZCRZQXDDQKURB-UZLBHIALSA-N
MW381.48 g/mol
LogP2.32
Rot. Bonds7

About N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide

N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide (PubChem CID 144994040) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide
PubChem CID144994040
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)NC[C@@H]2C[C@H](CNC(=O)c3ccccc3)CO2)c1
InChIInChI=1S/C22H27N3O3/c1-25(2)19-10-6-9-18(12-19)22(27)24-14-20-11-16(15-28-20)13-23-21(26)17-7-4-3-5-8-17/h3-10,12,16,20H,11,13-15H2,1-2H3,(H,23,26)(H,24,27)/t16-,20+/m1/s1
InChIKeyGZCRZQXDDQKURB-UZLBHIALSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-4-methylbenzamide
CID 144993930
N-[(3-aminocyclobutyl)methyl]-3-(dimethylamino)benzamide
CID 66006240
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]pyrimidine-2-carboxamide;molecular hydrogen;propane-2,2-diol
CID 144993937
N-[(4-benzylmorpholin-2-yl)methyl]-3-(dimethylamino)benzamide
CID 78799093
3-(dimethylamino)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110741562
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-(dimethylamino)benzamide
CID 114317430
3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
CID 94200759
N-[(2-benzyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methyl]-3-(dimethylamino)benzamide
CID 131681401
3-bromo-N-(oxiran-2-ylmethyl)benzamide
CID 102548436
methyl 2-[(2R,5S)-1-(cyclopropylmethyl)-5-[[[3-(dimethylamino)benzoyl]amino]methyl]pyrrolidin-2-yl]acetate
CID 165417394

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide (CID 144994040) is N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)NC[C@@H]2C[C@H](CNC(=O)c3ccccc3)CO2)c1.
What is the InChIKey of N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide?
The InChIKey is GZCRZQXDDQKURB-UZLBHIALSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-25(2)19-10-6-9-18(12-19)22(27)24-14-20-11-16(15-28-20)13-23-21(26)17-7-4-3-5-8-17/h3-10,12,16,20H,11,13-15H2,1-2H3,(H,23,26)(H,24,27)/t16-,20+/m1/s1.
What are the key properties of N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide?
N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4R)-4-(benzamidomethyl)oxolan-2-yl]methyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 144994040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).