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

C19H32N4O — CID 119901943

IUPAC(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H32N4O/c1-19(2,3)17(20)18(24)21-10-7-11-22-12-14-23(15-13-22)16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-15,20H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyDMVDJEYDHWUOBT-QGZVFWFLSA-N
MW332.49 g/mol
LogP1.69
Rot. Bonds6

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

(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide (PubChem CID 119901943) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
PubChem CID119901943
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H32N4O/c1-19(2,3)17(20)18(24)21-10-7-11-22-12-14-23(15-13-22)16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-15,20H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyDMVDJEYDHWUOBT-QGZVFWFLSA-N
XLogP1.69
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.69
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-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
(2S)-2-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide;trihydrochloride
CID 119903725
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
2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 71910704
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
2-methyl-N-[3-methyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide
CID 55638967
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 111454454
2-hydroxy-N-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-2,2-diphenylacetamide
CID 15458689
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3-(4-phenylpiperazin-1-yl)propylcarbamodithioic acid
CID 88699307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide (CID 119901943) is (2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide is CC(C)(C)[C@H](N)C(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide?
The InChIKey is DMVDJEYDHWUOBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H32N4O/c1-19(2,3)17(20)18(24)21-10-7-11-22-12-14-23(15-13-22)16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-15,20H2,1-3H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide has a molecular weight of 332.49 g/mol, XLogP of 1.69, 6 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-[3-(4-phenylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 119901943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).