3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide

C16H25N3O3 — CID 113128712

IUPAC3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCOc1ccccc1N(CCC(=O)NCCN(C)C)C(C)=O
InChIInChI=1S/C16H25N3O3/c1-13(20)19(14-7-5-6-8-15(14)22-4)11-9-16(21)17-10-12-18(2)3/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeySVDUSLRMWCCXOQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.12
Rot. Bonds8

About 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113128712) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113128712
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCOc1ccccc1N(CCC(=O)NCCN(C)C)C(C)=O
InChIInChI=1S/C16H25N3O3/c1-13(20)19(14-7-5-6-8-15(14)22-4)11-9-16(21)17-10-12-18(2)3/h5-8H,9-12H2,1-4H3,(H,17,21)
InChIKeySVDUSLRMWCCXOQ-UHFFFAOYSA-N
XLogP1.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(3-methoxypropyl)propanamide
CID 113128709
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-2-methoxyanilino)-N-benzylpropanamide
CID 113128720
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483
3-(N-acetyl-2-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113134668
3-(N-acetyl-2-methoxyanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113128713
3-(N-acetyl-2-methoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113128750
3-(N-acetyl-2-methoxyanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113128722
3-(N-acetyl-2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113126674
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2-methoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113128801
3-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129740

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113128712) is 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide is COc1ccccc1N(CCC(=O)NCCN(C)C)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is SVDUSLRMWCCXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-13(20)19(14-7-5-6-8-15(14)22-4)11-9-16(21)17-10-12-18(2)3/h5-8H,9-12H2,1-4H3,(H,17,21).
What are the key properties of 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113128712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).