N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C20H22N2O4 — CID 18144038

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1cccc(OCCN(C)C(=O)C(C)n2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H22N2O4/c1-14-7-6-8-16(13-14)25-12-11-21(3)19(23)15(2)22-17-9-4-5-10-18(17)26-20(22)24/h4-10,13,15H,11-12H2,1-3H3
InChIKeyLRQDIOKHYJMUHM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.00
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 18144038) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID18144038
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1cccc(OCCN(C)C(=O)C(C)n2c(=O)oc3ccccc32)c1
InChIInChI=1S/C20H22N2O4/c1-14-7-6-8-16(13-14)25-12-11-21(3)19(23)15(2)22-17-9-4-5-10-18(17)26-20(22)24/h4-10,13,15H,11-12H2,1-3H3
InChIKeyLRQDIOKHYJMUHM-UHFFFAOYSA-N
XLogP3.00
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[3-(3-methylphenoxy)propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 35888292
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695657
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
N,N-dimethyl-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]propanamide
CID 78818766
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]hexanamide
CID 60946640
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024794
(E)-3-(1,3-benzoxazol-2-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 26980460
N'-[2-(3-methylphenoxy)acetyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanehydrazide
CID 27845184

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 18144038) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1cccc(OCCN(C)C(=O)C(C)n2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is LRQDIOKHYJMUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-7-6-8-16(13-14)25-12-11-21(3)19(23)15(2)22-17-9-4-5-10-18(17)26-20(22)24/h4-10,13,15H,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 18144038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).