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

C16H26N2O2 — CID 65269943

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18(5)11-12-7-9-13(20-6)10-8-12/h7-10H,11,17H2,1-6H3
InChIKeyVPUQBLNFOOUXJN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds5

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

3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide (PubChem CID 65269943) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
PubChem CID65269943
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18(5)11-12-7-9-13(20-6)10-8-12/h7-10H,11,17H2,1-6H3
InChIKeyVPUQBLNFOOUXJN-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2,2,3-tetramethyl-N-[(4-methylphenyl)methyl]butanamide
CID 65264833
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 119680480
2-amino-2-ethyl-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 79810054
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2,2,3-tetramethylbutanamide
CID 65269415
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65465742
2-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 61266612
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 61417680
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
4-[(4-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991651

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide (CID 65269943) is 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide is COc1ccc(CN(C)C(=O)C(C)(C)C(C)(C)N)cc1.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide?
The InChIKey is VPUQBLNFOOUXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18(5)11-12-7-9-13(20-6)10-8-12/h7-10H,11,17H2,1-6H3.
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide?
3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]-N,2,2,3-tetramethylbutanamide is sourced from PubChem (CID 65269943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).