(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide

C24H27N3O3 — CID 7777360

IUPAC(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)Nc2ccc(Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-17(24(28)25-16-18-8-14-21(29-2)15-9-18)26-19-10-12-20(13-11-19)27-22-6-4-5-7-23(22)30-3/h4-15,17,26-27H,16H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyYZTMOFKSCCBCMK-QGZVFWFLSA-N
MW405.50 g/mol
LogP4.56
Rot. Bonds9

About (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide

(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 7777360) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID7777360
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@@H](C)Nc2ccc(Nc3ccccc3OC)cc2)cc1
InChIInChI=1S/C24H27N3O3/c1-17(24(28)25-16-18-8-14-21(29-2)15-9-18)26-19-10-12-20(13-11-19)27-22-6-4-5-7-23(22)30-3/h4-15,17,26-27H,16H2,1-3H3,(H,25,28)/t17-/m1/s1
InChIKeyYZTMOFKSCCBCMK-QGZVFWFLSA-N
XLogP4.56
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
2-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 42911654
2-(4-chloro-2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883000
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9273864
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 25354189
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 35960984
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2R)-2-[[4,6-bis(4-ethylanilino)-1,3,5-triazin-2-yl]amino]-N-(2-methoxyphenyl)propanamide
CID 41339652
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide (CID 7777360) is (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@@H](C)Nc2ccc(Nc3ccccc3OC)cc2)cc1.
What is the InChIKey of (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is YZTMOFKSCCBCMK-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(24(28)25-16-18-8-14-21(29-2)15-9-18)26-19-10-12-20(13-11-19)27-22-6-4-5-7-23(22)30-3/h4-15,17,26-27H,16H2,1-3H3,(H,25,28)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide?
(2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-methoxyanilino)anilino]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 7777360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).