N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide

C21H28N2O2 — CID 99815193

IUPACN-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CN[C@H](C)[C@@H](C)c2ccc(OC)cc2)c1
InChIInChI=1S/C21H28N2O2/c1-5-22-21(24)19-8-6-7-17(13-19)14-23-16(3)15(2)18-9-11-20(25-4)12-10-18/h6-13,15-16,23H,5,14H2,1-4H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyFLINBAKRUVPXLE-HZPDHXFCSA-N
MW340.47 g/mol
LogP3.73
Rot. Bonds8

About N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide

N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide (PubChem CID 99815193) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide
PubChem CID99815193
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CN[C@H](C)[C@@H](C)c2ccc(OC)cc2)c1
InChIInChI=1S/C21H28N2O2/c1-5-22-21(24)19-8-6-7-17(13-19)14-23-16(3)15(2)18-9-11-20(25-4)12-10-18/h6-13,15-16,23H,5,14H2,1-4H3,(H,22,24)/t15-,16-/m1/s1
InChIKeyFLINBAKRUVPXLE-HZPDHXFCSA-N
XLogP3.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide with MolForge

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Related Compounds

N-ethyl-3-[[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111641195
N-ethyl-3-[[[ethylamino-[(4-methoxyphenyl)methylamino]methylidene]amino]methyl]benzamide
CID 111181509
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
N-ethyl-3-[[[N-[2-(4-methoxyphenoxy)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111410438
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide
CID 97321825
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458
N-ethyl-3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]benzamide;hydroiodide
CID 111126010
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 55655576
3-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide
CID 111182532

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide (CID 99815193) is N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide is CCNC(=O)c1cccc(CN[C@H](C)[C@@H](C)c2ccc(OC)cc2)c1.
What is the InChIKey of N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide?
The InChIKey is FLINBAKRUVPXLE-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-22-21(24)19-8-6-7-17(13-19)14-23-16(3)15(2)18-9-11-20(25-4)12-10-18/h6-13,15-16,23H,5,14H2,1-4H3,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide?
N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide has a molecular weight of 340.47 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 99815193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).