(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide

C20H34N4O — CID 119902156

IUPAC(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H34N4O/c1-20(2,3)18(21)19(25)22-11-7-8-12-23-13-15-24(16-14-23)17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16,21H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyZOUXIZHFHOYTEE-GOSISDBHSA-N
MW346.52 g/mol
LogP2.08
Rot. Bonds7

About (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide (PubChem CID 119902156) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
PubChem CID119902156
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H34N4O/c1-20(2,3)18(21)19(25)22-11-7-8-12-23-13-15-24(16-14-23)17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16,21H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyZOUXIZHFHOYTEE-GOSISDBHSA-N
XLogP2.08
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 71910704
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
(2S)-2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]butanamide;trihydrochloride
CID 119902983
2-methyl-N-[3-methyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide
CID 55638967
2-amino-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methylpropanamide
CID 119902978

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide (CID 119902156) is (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide is CC(C)(C)[C@H](N)C(=O)NCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide?
The InChIKey is ZOUXIZHFHOYTEE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34N4O/c1-20(2,3)18(21)19(25)22-11-7-8-12-23-13-15-24(16-14-23)17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16,21H2,1-3H3,(H,22,25)/t18-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide has a molecular weight of 346.52 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide is sourced from PubChem (CID 119902156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).