3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide

C21H27N3O3 — CID 113132275

IUPAC3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-17(25)24(15-13-21(26)22-14-16-23(2)3)18-9-11-20(12-10-18)27-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,22,26)
InChIKeyXQSIPUCBWDCVSI-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.90
Rot. Bonds9

About 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113132275) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113132275
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-17(25)24(15-13-21(26)22-14-16-23(2)3)18-9-11-20(12-10-18)27-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,22,26)
InChIKeyXQSIPUCBWDCVSI-UHFFFAOYSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
CID 113132296
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-2-methoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113128712
2-(N-acetyl-4-phenoxyanilino)-N-butylacetamide
CID 113177439
3-(N-acetyl-4-methoxyanilino)-N-(2-methoxyethyl)propanamide
CID 113129054
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]furan-2-carboxamide
CID 113062542
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113132275) is 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCC(=O)NCCN(C)C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is XQSIPUCBWDCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-17(25)24(15-13-21(26)22-14-16-23(2)3)18-9-11-20(12-10-18)27-19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,22,26).
What are the key properties of 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113132275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).