2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide

C14H23N3O — CID 70918703

IUPAC2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide
SMILESCNc1cccc(NC(=O)CN(C)C(C)(C)C)c1
InChIInChI=1S/C14H23N3O/c1-14(2,3)17(5)10-13(18)16-12-8-6-7-11(9-12)15-4/h6-9,15H,10H2,1-5H3,(H,16,18)
InChIKeyKEMPEIWRHZMNEJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.40
Rot. Bonds4

About 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide

2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide (PubChem CID 70918703) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide
PubChem CID70918703
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide
SMILESCNc1cccc(NC(=O)CN(C)C(C)(C)C)c1
InChIInChI=1S/C14H23N3O/c1-14(2,3)17(5)10-13(18)16-12-8-6-7-11(9-12)15-4/h6-9,15H,10H2,1-5H3,(H,16,18)
InChIKeyKEMPEIWRHZMNEJ-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-[acetyl(tert-butyl)amino]acetamide
CID 113166199
2-[ethyl(2-methoxyethyl)amino]-N-[3-(methylamino)phenyl]acetamide
CID 71219508
[3-(methylamino)phenyl]carbamic acid
CID 66771222
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
CID 169356675
[3-(methylamino)phenyl]urea
CID 23558981
N-tert-butyl-N-methyl-3-(methylamino)benzamide
CID 115160852
N-[3-[[2-(N-methylanilino)acetyl]amino]phenyl]butanamide
CID 54817881
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
CID 113152943
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
N-(3-aminophenyl)-2-[3,3-dimethylbutan-2-yl(methyl)amino]acetamide
CID 55006642

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide?
The IUPAC name of 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide (CID 70918703) is 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide?
The canonical SMILES for 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide is CNc1cccc(NC(=O)CN(C)C(C)(C)C)c1.
What is the InChIKey of 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide?
The InChIKey is KEMPEIWRHZMNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-14(2,3)17(5)10-13(18)16-12-8-6-7-11(9-12)15-4/h6-9,15H,10H2,1-5H3,(H,16,18).
What are the key properties of 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide?
2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide has a molecular weight of 249.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methyl)amino]-N-[3-(methylamino)phenyl]acetamide is sourced from PubChem (CID 70918703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).