(2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide

C22H26N4O — CID 94601600

IUPAC(2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide
SMILESCc1ccc(N[C@@](C)(C(=O)N(C)Cc2nccn2C)c2ccccc2)cc1
InChIInChI=1S/C22H26N4O/c1-17-10-12-19(13-11-17)24-22(2,18-8-6-5-7-9-18)21(27)26(4)16-20-23-14-15-25(20)3/h5-15,24H,16H2,1-4H3/t22-/m1/s1
InChIKeySMVFJRAXEUWYJM-JOCHJYFZSA-N
MW362.48 g/mol
LogP3.71
Rot. Bonds6

About (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide

(2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide (PubChem CID 94601600) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide
PubChem CID94601600
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name(2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide
SMILESCc1ccc(N[C@@](C)(C(=O)N(C)Cc2nccn2C)c2ccccc2)cc1
InChIInChI=1S/C22H26N4O/c1-17-10-12-19(13-11-17)24-22(2,18-8-6-5-7-9-18)21(27)26(4)16-20-23-14-15-25(20)3/h5-15,24H,16H2,1-4H3/t22-/m1/s1
InChIKeySMVFJRAXEUWYJM-JOCHJYFZSA-N
XLogP3.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 79805245
methyl 2-(4-methylanilino)-2-phenylpropanoate
CID 60990669
N-[2-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46986800
2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114290676
2-amino-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-phenylpropanoic acid
CID 63024592
3-(3,4-dichlorophenyl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 71902046
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 104601433
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717766
3-[[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]methyl]benzoic acid
CID 136558257
(2R)-4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 78923453
2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 60962958

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide?
The IUPAC name of (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide (CID 94601600) is (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide?
The canonical SMILES for (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide is Cc1ccc(N[C@@](C)(C(=O)N(C)Cc2nccn2C)c2ccccc2)cc1.
What is the InChIKey of (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide?
The InChIKey is SMVFJRAXEUWYJM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-10-12-19(13-11-17)24-22(2,18-8-6-5-7-9-18)21(27)26(4)16-20-23-14-15-25(20)3/h5-15,24H,16H2,1-4H3/t22-/m1/s1.
What are the key properties of (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide?
(2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide has a molecular weight of 362.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-(4-methylanilino)-N-[(1-methylimidazol-2-yl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 94601600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).