(2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide

C18H21N3O2 — CID 90028508

IUPAC(2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide
SMILESCOc1ccc(C[C@@](C)(C(=O)N=C(N)N)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-18(16(22)21-17(19)20,14-6-4-3-5-7-14)12-13-8-10-15(23-2)11-9-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)/t18-/m1/s1
InChIKeyXGKMBJVVBPADOJ-GOSISDBHSA-N
MW311.39 g/mol
LogP2.00
Rot. Bonds5

About (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide

(2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide (PubChem CID 90028508) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide
PubChem CID90028508
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide
SMILESCOc1ccc(C[C@@](C)(C(=O)N=C(N)N)c2ccccc2)cc1
InChIInChI=1S/C18H21N3O2/c1-18(16(22)21-17(19)20,14-6-4-3-5-7-14)12-13-8-10-15(23-2)11-9-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)/t18-/m1/s1
InChIKeyXGKMBJVVBPADOJ-GOSISDBHSA-N
XLogP2.00
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 131843624
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
(4-methoxyphenyl)methyl N-(1-cyano-1-phenylethyl)carbamate
CID 57179451
[4-[1-(4-methoxyphenyl)-2-phenylbut-3-en-2-yl]phenyl] 2,2-dimethylpropanoate
CID 89454247
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
CID 67712155
1-(2,2-dimethylpropyl)-4-[1-(4-methoxyphenyl)-2,2-dimethyl-1-phenylpropyl]benzene
CID 135291592
N-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]benzamide
CID 2270387
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
(2R)-2-hydroxy-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 67330624

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide?
The IUPAC name of (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide (CID 90028508) is (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide is COc1ccc(C[C@@](C)(C(=O)N=C(N)N)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide?
The InChIKey is XGKMBJVVBPADOJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(16(22)21-17(19)20,14-6-4-3-5-7-14)12-13-8-10-15(23-2)11-9-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)/t18-/m1/s1.
What are the key properties of (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide?
(2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide has a molecular weight of 311.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 90028508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).