N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

C23H38N4O2 — CID 55714907

IUPACN-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)CCCNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C23H38N4O2/c1-5-26-13-15-27(16-14-26)18-20-10-7-6-9-19(20)17-25-21(28)11-8-12-24-22(29)23(2,3)4/h6-7,9-10H,5,8,11-18H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyPIQMHUFYLXKUGM-UHFFFAOYSA-N
MW402.58 g/mol
LogP2.38
Rot. Bonds9

About N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 55714907) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID55714907
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC NameN-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)CCCNC(=O)C(C)(C)C)CC1
InChIInChI=1S/C23H38N4O2/c1-5-26-13-15-27(16-14-26)18-20-10-7-6-9-19(20)17-25-21(28)11-8-12-24-22(29)23(2,3)4/h6-7,9-10H,5,8,11-18H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyPIQMHUFYLXKUGM-UHFFFAOYSA-N
XLogP2.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546544
2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide
CID 32758147
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55715142
2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
2,2-dimethyl-N-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]propanamide
CID 37216695
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119901686
4-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845148
N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 55842889
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 37486928
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55664754

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 55714907) is N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is CCN1CCN(Cc2ccccc2CNC(=O)CCCNC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is PIQMHUFYLXKUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-5-26-13-15-27(16-14-26)18-20-10-7-6-9-19(20)17-25-21(28)11-8-12-24-22(29)23(2,3)4/h6-7,9-10H,5,8,11-18H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 402.58 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 55714907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).