4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide

C12H17ClN2O2 — CID 82120602

IUPAC4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCC(O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H17ClN2O2/c1-15(2)12(17)6-5-11(16)8-3-4-9(13)10(14)7-8/h3-4,7,11,16H,5-6,14H2,1-2H3
InChIKeyBDMDLEPNRCYTPN-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.82
Rot. Bonds4

About 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide

4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide (PubChem CID 82120602) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide
PubChem CID82120602
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCC(O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C12H17ClN2O2/c1-15(2)12(17)6-5-11(16)8-3-4-9(13)10(14)7-8/h3-4,7,11,16H,5-6,14H2,1-2H3
InChIKeyBDMDLEPNRCYTPN-UHFFFAOYSA-N
XLogP1.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide?
The IUPAC name of 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide (CID 82120602) is 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide?
The canonical SMILES for 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide is CN(C)C(=O)CCC(O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide?
The InChIKey is BDMDLEPNRCYTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-15(2)12(17)6-5-11(16)8-3-4-9(13)10(14)7-8/h3-4,7,11,16H,5-6,14H2,1-2H3.
What are the key properties of 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide?
4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide has a molecular weight of 256.73 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-chlorophenyl)-4-hydroxy-N,N-dimethylbutanamide is sourced from PubChem (CID 82120602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).