3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide

C37H41N3O4 — CID 10232205

IUPAC3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide
SMILESCNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C37H41N3O4/c1-38-23-32(19-25-13-15-27-9-5-7-11-29(27)17-25)39-24-33(20-26-14-16-28-10-6-8-12-30(28)18-26)40-37(41)31-21-34(42-2)36(44-4)35(22-31)43-3/h5-18,21-22,32-33,38-39H,19-20,23-24H2,1-4H3,(H,40,41)/t32-,33+/m0/s1
InChIKeyCPPBYTCIJJJAQX-JHOUSYSJSA-N
MW591.75 g/mol
LogP5.78
Rot. Bonds14

About 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide

3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide (PubChem CID 10232205) has the molecular formula C37H41N3O4 and a molecular weight of 591.75 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide
PubChem CID10232205
Molecular FormulaC37H41N3O4
Molecular Weight591.75 g/mol
Exact Mass591.31
IUPAC Name3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide
SMILESCNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C37H41N3O4/c1-38-23-32(19-25-13-15-27-9-5-7-11-29(27)17-25)39-24-33(20-26-14-16-28-10-6-8-12-30(28)18-26)40-37(41)31-21-34(42-2)36(44-4)35(22-31)43-3/h5-18,21-22,32-33,38-39H,19-20,23-24H2,1-4H3,(H,40,41)/t32-,33+/m0/s1
InChIKeyCPPBYTCIJJJAQX-JHOUSYSJSA-N
XLogP5.78
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.75
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide with MolForge

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Related Compounds

3,5-dihydroxy-N-[(2S)-1-[[(2R)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-1-ylpropan-2-yl]benzamide
CID 10302134
4-hydroxy-3,5-dimethoxy-N-[(2S)-1-[[(2R)-1-(methylamino)-3-naphthalen-1-ylpropan-2-yl]amino]-3-naphthalen-1-ylpropan-2-yl]benzamide
CID 10144796
ethyl 2,6-dimethoxy-4-[[(2S)-1-[[(2S)-1-(methylamino)-3-naphthalen-1-ylpropan-2-yl]amino]-3-naphthalen-1-ylpropan-2-yl]carbamoyl]benzoate
CID 10189508
N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3,4,5-trimethoxybenzamide
CID 13286134
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
(2S)-1-N-methyl-2-N-[(2S)-2-[2-[4-(2-methylpropyl)phenyl]propylamino]-3-naphthalen-2-ylpropyl]-3-naphthalen-2-ylpropane-1,2-diamine
CID 71815018
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide (CID 10232205) is 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide is CNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide?
The InChIKey is CPPBYTCIJJJAQX-JHOUSYSJSA-N. The full InChI is InChI=1S/C37H41N3O4/c1-38-23-32(19-25-13-15-27-9-5-7-11-29(27)17-25)39-24-33(20-26-14-16-28-10-6-8-12-30(28)18-26)40-37(41)31-21-34(42-2)36(44-4)35(22-31)43-3/h5-18,21-22,32-33,38-39H,19-20,23-24H2,1-4H3,(H,40,41)/t32-,33+/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide?
3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide has a molecular weight of 591.75 g/mol, XLogP of 5.78, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(2R)-1-[[(2S)-1-(methylamino)-3-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 10232205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).