N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide

C22H28N2O5 — CID 18227129

IUPACN-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Oc2cc(NC(=O)CCNC(=O)C(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C22H28N2O5/c1-22(2,3)21(26)23-13-12-20(25)24-15-6-11-18(28-5)19(14-15)29-17-9-7-16(27-4)8-10-17/h6-11,14H,12-13H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyAGDHDVDUNJSNJX-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.99
Rot. Bonds8

About N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide

N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide (PubChem CID 18227129) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
PubChem CID18227129
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Oc2cc(NC(=O)CCNC(=O)C(C)(C)C)ccc2OC)cc1
InChIInChI=1S/C22H28N2O5/c1-22(2,3)21(26)23-13-12-20(25)24-15-6-11-18(28-5)19(14-15)29-17-9-7-16(27-4)8-10-17/h6-11,14H,12-13H2,1-5H3,(H,23,26)(H,24,25)
InChIKeyAGDHDVDUNJSNJX-UHFFFAOYSA-N
XLogP3.99
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837
N-[3-(3-methoxyanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18154986
3-(2-hydroxyphenyl)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]propanamide
CID 25432728
2-(2-methoxyethoxy)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]acetamide
CID 30902018
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
N-[4-(2-methoxyphenoxy)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18139288
3-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 47877564
N-(3,4-dimethoxyphenyl)-3-hydroxypropanamide
CID 94259640
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999287
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide (CID 18227129) is N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide is COc1ccc(Oc2cc(NC(=O)CCNC(=O)C(C)(C)C)ccc2OC)cc1.
What is the InChIKey of N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
The InChIKey is AGDHDVDUNJSNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-22(2,3)21(26)23-13-12-20(25)24-15-6-11-18(28-5)19(14-15)29-17-9-7-16(27-4)8-10-17/h6-11,14H,12-13H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide?
N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide has a molecular weight of 400.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methoxy-3-(4-methoxyphenoxy)anilino]-3-oxopropyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 18227129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).