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

C16H25N3O2 — CID 113123741

IUPAC3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C16H25N3O2/c1-13-6-5-7-15(12-13)19(14(2)20)10-8-16(21)17-9-11-18(3)4/h5-7,12H,8-11H2,1-4H3,(H,17,21)
InChIKeyFVPBHOHOKCECBB-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.42
Rot. Bonds7

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

3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113123741) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113123741
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C16H25N3O2/c1-13-6-5-7-15(12-13)19(14(2)20)10-8-16(21)17-9-11-18(3)4/h5-7,12H,8-11H2,1-4H3,(H,17,21)
InChIKeyFVPBHOHOKCECBB-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
CID 113057406
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113130421
N-[2-(dimethylamino)ethyl]-3-(N-ethyl-3-methylanilino)propanamide
CID 109016337
3-(N-acetyl-3-methylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123797
3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113125984
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
CID 113057469
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
3-(N-acetyl-4-phenoxyanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113132275

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113123741) is 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCC(=O)NCCN(C)C)c1cccc(C)c1.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is FVPBHOHOKCECBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-6-5-7-15(12-13)19(14(2)20)10-8-16(21)17-9-11-18(3)4/h5-7,12H,8-11H2,1-4H3,(H,17,21).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113123741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).