(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

C19H21N3O4 — CID 25474150

IUPAC(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C19H21N3O4/c1-11(20-13-5-7-18-15(9-13)21-12(2)26-18)19(23)22-16-10-14(24-3)6-8-17(16)25-4/h5-11,20H,1-4H3,(H,22,23)/t11-/m1/s1
InChIKeyJIMCZIBQDXAKCP-LLVKDONJSA-N
MW355.39 g/mol
LogP3.59
Rot. Bonds6

About (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 25474150) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID25474150
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCOc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c1
InChIInChI=1S/C19H21N3O4/c1-11(20-13-5-7-18-15(9-13)21-12(2)26-18)19(23)22-16-10-14(24-3)6-8-17(16)25-4/h5-11,20H,1-4H3,(H,22,23)/t11-/m1/s1
InChIKeyJIMCZIBQDXAKCP-LLVKDONJSA-N
XLogP3.59
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25344260
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 51248657
(2S)-N-(2,4-dichlorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25348758
N-(2,5-dimethoxyphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390669
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474138
(2S)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 25342725
(2S)-N-(3-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25354769
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (CID 25474150) is (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc3oc(C)nc3c2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is JIMCZIBQDXAKCP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11(20-13-5-7-18-15(9-13)21-12(2)26-18)19(23)22-16-10-14(24-3)6-8-17(16)25-4/h5-11,20H,1-4H3,(H,22,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 355.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 25474150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).