3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

C15H23N3O3 — CID 106276999

IUPAC3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)16-3)10-17-9-13(19)18-11-6-5-7-12(8-11)21-4/h5-8,17H,9-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyPONLXBUIRUXBGR-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.00
Rot. Bonds7

About 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide

3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106276999) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
PubChem CID106276999
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H23N3O3/c1-15(2,14(20)16-3)10-17-9-13(19)18-11-6-5-7-12(8-11)21-4/h5-8,17H,9-10H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyPONLXBUIRUXBGR-UHFFFAOYSA-N
XLogP1.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106277204
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
CID 66172050
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106147288
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-methoxyphenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905462
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
N-(3-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82940732
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide (CID 106276999) is 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is PONLXBUIRUXBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,14(20)16-3)10-17-9-13(19)18-11-6-5-7-12(8-11)21-4/h5-8,17H,9-10H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide?
3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106276999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).