3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide

C20H29N3O3 — CID 108961312

IUPAC3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
SMILESCCN(C(=O)C(C)(C)C(=O)N1CCN(C(C)=O)CC1)c1cccc(C)c1
InChIInChI=1S/C20H29N3O3/c1-6-23(17-9-7-8-15(2)14-17)19(26)20(4,5)18(25)22-12-10-21(11-13-22)16(3)24/h7-9,14H,6,10-13H2,1-5H3
InChIKeyYVOPTISTLSQEBX-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.06
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide

3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide (PubChem CID 108961312) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
PubChem CID108961312
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
SMILESCCN(C(=O)C(C)(C)C(=O)N1CCN(C(C)=O)CC1)c1cccc(C)c1
InChIInChI=1S/C20H29N3O3/c1-6-23(17-9-7-8-15(2)14-17)19(26)20(4,5)18(25)22-12-10-21(11-13-22)16(3)24/h7-9,14H,6,10-13H2,1-5H3
InChIKeyYVOPTISTLSQEBX-UHFFFAOYSA-N
XLogP2.06
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967923
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
N-ethyl-2-methyl-N-(3-methylphenyl)-2-piperidin-3-ylpropanamide
CID 83198721
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972125
N-ethyl-3-(4-ethylpiperazin-1-yl)-N-(3-methylphenyl)-3-oxopropanamide
CID 108944667
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide (CID 108961312) is 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide is CCN(C(=O)C(C)(C)C(=O)N1CCN(C(C)=O)CC1)c1cccc(C)c1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide?
The InChIKey is YVOPTISTLSQEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-6-23(17-9-7-8-15(2)14-17)19(26)20(4,5)18(25)22-12-10-21(11-13-22)16(3)24/h7-9,14H,6,10-13H2,1-5H3.
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide?
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide has a molecular weight of 359.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide is sourced from PubChem (CID 108961312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).