3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide

C15H22Cl2N2O — CID 65269415

IUPAC3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C15H22Cl2N2O/c1-14(2,15(3,4)18)13(20)19(5)9-10-6-7-11(16)12(17)8-10/h6-8H,9,18H2,1-5H3
InChIKeyULUNNDUXGYCVDH-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.72
Rot. Bonds4

About 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide

3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide (PubChem CID 65269415) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide
PubChem CID65269415
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C15H22Cl2N2O/c1-14(2,15(3,4)18)13(20)19(5)9-10-6-7-11(16)12(17)8-10/h6-8H,9,18H2,1-5H3
InChIKeyULUNNDUXGYCVDH-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
CID 65264833
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929088
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269943
2-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 43167904
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
[(3,4-dichlorophenyl)methyl-methylcarbamothioyl]azanium
CID 137163213
3-amino-N,2,2,3-tetramethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 65267279
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methoxy-N-methylpropanamide;hydrochloride
CID 120983504

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide?
The IUPAC name of 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide (CID 65269415) is 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide.
What is the SMILES notation for 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide?
The canonical SMILES for 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide?
The InChIKey is ULUNNDUXGYCVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-14(2,15(3,4)18)13(20)19(5)9-10-6-7-11(16)12(17)8-10/h6-8H,9,18H2,1-5H3.
What are the key properties of 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide?
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide has a molecular weight of 317.26 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide is sourced from PubChem (CID 65269415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).