3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide

C18H21N3O3 — CID 17485799

IUPAC3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C18H21N3O3/c1-12(17(22)21-15-9-4-5-10-16(15)24-3)20-14-8-6-7-13(11-14)18(23)19-2/h4-12,20H,1-3H3,(H,19,23)(H,21,22)
InChIKeyPAEHHIZWZXNVHO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.49
Rot. Bonds6

About 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide

3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide (PubChem CID 17485799) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
PubChem CID17485799
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(C)C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C18H21N3O3/c1-12(17(22)21-15-9-4-5-10-16(15)24-3)20-14-8-6-7-13(11-14)18(23)19-2/h4-12,20H,1-3H3,(H,19,23)(H,21,22)
InChIKeyPAEHHIZWZXNVHO-UHFFFAOYSA-N
XLogP2.49
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
3-[[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51243989
3-[2-(3-iodoanilino)propanoylamino]-N-methylbenzamide
CID 112811069
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
3-fluoro-N-[2-methoxy-5-[[1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]amino]phenyl]benzamide
CID 60542555
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide (CID 17485799) is 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide is CNC(=O)c1cccc(NC(C)C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide?
The InChIKey is PAEHHIZWZXNVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12(17(22)21-15-9-4-5-10-16(15)24-3)20-14-8-6-7-13(11-14)18(23)19-2/h4-12,20H,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide?
3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide has a molecular weight of 327.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 17485799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).