(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide

C24H25N3O4 — CID 40690071

IUPAC(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](Nc1ccc(OC)c(-c2ccc(OC)cc2)c1)c1ccccc1
InChIInChI=1S/C24H25N3O4/c1-25-24(29)27-23(28)22(17-7-5-4-6-8-17)26-18-11-14-21(31-3)20(15-18)16-9-12-19(30-2)13-10-16/h4-15,22,26H,1-3H3,(H2,25,27,28,29)/t22-/m0/s1
InChIKeyYLYNZLTUCFQKOO-QFIPXVFZSA-N
MW419.48 g/mol
LogP3.98
Rot. Bonds7

About (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide

(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 40690071) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID40690071
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)[C@@H](Nc1ccc(OC)c(-c2ccc(OC)cc2)c1)c1ccccc1
InChIInChI=1S/C24H25N3O4/c1-25-24(29)27-23(28)22(17-7-5-4-6-8-17)26-18-11-14-21(31-3)20(15-18)16-9-12-19(30-2)13-10-16/h4-15,22,26H,1-3H3,(H2,25,27,28,29)/t22-/m0/s1
InChIKeyYLYNZLTUCFQKOO-QFIPXVFZSA-N
XLogP3.98
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-4-[[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]benzamide
CID 17495973
(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
CID 7509578
(2R)-2-(4-ethoxyanilino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509504
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(methylcarbamoyl)-2-phenylacetamide
CID 7509426
(2S)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)-2-phenylacetamide
CID 11933910
(2S)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7590367
(2R)-2-[[(3S)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 69041447
(2S)-2-(3-bromo-4-methoxyanilino)-2-phenylacetamide
CID 95623687
2-[2-(2-methoxyphenyl)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 17485051
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2,4-dimethoxybenzoate
CID 2674891
2-anilino-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 4879709
3-[4-methoxy-3-(4-methoxyphenyl)anilino]-2,2-dimethyl-3-oxopropanoic acid
CID 146134636

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 40690071) is (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)[C@@H](Nc1ccc(OC)c(-c2ccc(OC)cc2)c1)c1ccccc1.
What is the InChIKey of (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is YLYNZLTUCFQKOO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-25-24(29)27-23(28)22(17-7-5-4-6-8-17)26-18-11-14-21(31-3)20(15-18)16-9-12-19(30-2)13-10-16/h4-15,22,26H,1-3H3,(H2,25,27,28,29)/t22-/m0/s1.
What are the key properties of (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide?
(2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 419.48 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-methoxy-3-(4-methoxyphenyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 40690071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).