N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

C20H23N3O3 — CID 51248657

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C20H23N3O3/c1-13(22-16-6-9-19-18(12-16)23-14(2)26-19)20(24)21-11-10-15-4-7-17(25-3)8-5-15/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,24)
InChIKeyZHYQUNURPBNGPN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.30
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 51248657) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID51248657
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)Nc2ccc3oc(C)nc3c2)cc1
InChIInChI=1S/C20H23N3O3/c1-13(22-16-6-9-19-18(12-16)23-14(2)26-19)20(24)21-11-10-15-4-7-17(25-3)8-5-15/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,24)
InChIKeyZHYQUNURPBNGPN-UHFFFAOYSA-N
XLogP3.30
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
(2R)-N-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474150
2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242371
2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 17456697
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25344260
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
2-(2-methyl-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110773772
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxy-3-methylanilino)propanamide
CID 87033327

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide (CID 51248657) is N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is COc1ccc(CCNC(=O)C(C)Nc2ccc3oc(C)nc3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is ZHYQUNURPBNGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(22-16-6-9-19-18(12-16)23-14(2)26-19)20(24)21-11-10-15-4-7-17(25-3)8-5-15/h4-9,12-13,22H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 353.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 51248657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).