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

C36H39N3O4 — CID 10144796

IUPAC4-hydroxy-3,5-dimethoxy-N-[(2S)-1-[[(2R)-1-(methylamino)-3-naphthalen-1-ylpropan-2-yl]amino]-3-naphthalen-1-ylpropan-2-yl]benzamide
SMILESCNC[C@@H](Cc1cccc2ccccc12)NC[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C36H39N3O4/c1-37-22-29(18-26-14-8-12-24-10-4-6-16-31(24)26)38-23-30(19-27-15-9-13-25-11-5-7-17-32(25)27)39-36(41)28-20-33(42-2)35(40)34(21-28)43-3/h4-17,20-21,29-30,37-38,40H,18-19,22-23H2,1-3H3,(H,39,41)/t29-,30+/m1/s1
InChIKeyBUVIJUKJBZTNHO-IHLOFXLRSA-N
MW577.73 g/mol
LogP5.48
Rot. Bonds13

About 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

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 (PubChem CID 10144796) has the molecular formula C36H39N3O4 and a molecular weight of 577.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxy-N-[(2S)-1-[[(2R)-1-(methylamino)-3-naphthalen-1-ylpropan-2-yl]amino]-3-naphthalen-1-ylpropan-2-yl]benzamide
PubChem CID10144796
Molecular FormulaC36H39N3O4
Molecular Weight577.73 g/mol
Exact Mass577.29
IUPAC Name4-hydroxy-3,5-dimethoxy-N-[(2S)-1-[[(2R)-1-(methylamino)-3-naphthalen-1-ylpropan-2-yl]amino]-3-naphthalen-1-ylpropan-2-yl]benzamide
SMILESCNC[C@@H](Cc1cccc2ccccc12)NC[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(OC)c(O)c(OC)c1
InChIInChI=1S/C36H39N3O4/c1-37-22-29(18-26-14-8-12-24-10-4-6-16-31(24)26)38-23-30(19-27-15-9-13-25-11-5-7-17-32(25)27)39-36(41)28-20-33(42-2)35(40)34(21-28)43-3/h4-17,20-21,29-30,37-38,40H,18-19,22-23H2,1-3H3,(H,39,41)/t29-,30+/m1/s1
InChIKeyBUVIJUKJBZTNHO-IHLOFXLRSA-N
XLogP5.48
TPSA91.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 55.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683229
(2S)-2-[(4-hydroxy-3,5-dimethoxybenzoyl)amino]butanedioic acid
CID 100914230
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
sodium 2-[(3-hydroxybenzoyl)amino]-3-naphthalen-1-ylpropanoate
CID 139753382
naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
2,3-dimethoxy-N-[(2S)-2-methyl-3-naphthalen-1-ylpropyl]benzamide
CID 100531776
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
2-N,6-N-bis[(2S)-1-hydroxy-3-naphthalen-1-ylpropan-2-yl]pyridine-2,6-dicarboxamide
CID 71614579
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC[C@@H](Cc1cccc2ccccc12)NC[C@H](Cc1cccc2ccccc12)NC(=O)c1cc(OC)c(O)c(OC)c1.
What is the InChIKey of 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?
The InChIKey is BUVIJUKJBZTNHO-IHLOFXLRSA-N. The full InChI is InChI=1S/C36H39N3O4/c1-37-22-29(18-26-14-8-12-24-10-4-6-16-31(24)26)38-23-30(19-27-15-9-13-25-11-5-7-17-32(25)27)39-36(41)28-20-33(42-2)35(40)34(21-28)43-3/h4-17,20-21,29-30,37-38,40H,18-19,22-23H2,1-3H3,(H,39,41)/t29-,30+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 577.73 g/mol, XLogP of 5.48, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10144796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).