(2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide

C29H33N7O2 — CID 41339652

IUPAC(2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide
SMILESCCc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N[C@H](C)C(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C29H33N7O2/c1-5-20-11-15-22(16-12-20)31-28-34-27(35-29(36-28)32-23-17-13-21(6-2)14-18-23)30-19(3)26(37)33-24-9-7-8-10-25(24)38-4/h7-19H,5-6H2,1-4H3,(H,33,37)(H3,30,31,32,34,35,36)/t19-/m1/s1
InChIKeyDNGLOZMDSUUKCH-LJQANCHMSA-N
MW511.63 g/mol
LogP5.93
Rot. Bonds11

About (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide

(2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide (PubChem CID 41339652) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide
PubChem CID41339652
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC Name(2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide
SMILESCCc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N[C@H](C)C(=O)Nc3ccccc3OC)n2)cc1
InChIInChI=1S/C29H33N7O2/c1-5-20-11-15-22(16-12-20)31-28-34-27(35-29(36-28)32-23-17-13-21(6-2)14-18-23)30-19(3)26(37)33-24-9-7-8-10-25(24)38-4/h7-19H,5-6H2,1-4H3,(H,33,37)(H3,30,31,32,34,35,36)/t19-/m1/s1
InChIKeyDNGLOZMDSUUKCH-LJQANCHMSA-N
XLogP5.93
TPSA113.09 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 55.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2S)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 41263728
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-ethylanilino)propanamide
CID 7928705
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 7777360
(2R)-N-(2-methoxyphenyl)-2-[4-(morpholin-4-ylmethyl)anilino]propanamide
CID 25355403
2-(4-ethylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 53288679

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide (CID 41339652) is (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide is CCc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N[C@H](C)C(=O)Nc3ccccc3OC)n2)cc1.
What is the InChIKey of (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is DNGLOZMDSUUKCH-LJQANCHMSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-5-20-11-15-22(16-12-20)31-28-34-27(35-29(36-28)32-23-17-13-21(6-2)14-18-23)30-19(3)26(37)33-24-9-7-8-10-25(24)38-4/h7-19H,5-6H2,1-4H3,(H,33,37)(H3,30,31,32,34,35,36)/t19-/m1/s1.
What are the key properties of (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide?
(2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 511.63 g/mol, XLogP of 5.93, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 41339652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).