N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide

C14H21N3O2 — CID 114290300

IUPACN-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-4-14(3,9-15)13(19)17-12-7-5-11(6-8-12)16-10(2)18/h5-8H,4,9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeySGGUENWCAIWQKR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide

N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide (PubChem CID 114290300) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
PubChem CID114290300
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H21N3O2/c1-4-14(3,9-15)13(19)17-12-7-5-11(6-8-12)16-10(2)18/h5-8H,4,9,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeySGGUENWCAIWQKR-UHFFFAOYSA-N
XLogP1.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-fluorophenyl)-2-methylbutanamide
CID 114290174
2-(aminomethyl)-N-(1,3-benzothiazol-6-yl)-2-methylbutanamide
CID 114003187
2-(aminomethyl)-2-methyl-N-(1-methylpyrazol-4-yl)butanamide
CID 114290367
2-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-2-methylbutanamide
CID 114290372
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
2-(aminomethyl)-N-(2,6-dimethyl-3-pyridinyl)-2-methylbutanamide
CID 114290830
N-(4-acetamidophenyl)-2-methyl-2-(methylamino)propanamide
CID 62835436
1-N,3-N,5-N,7-N-tetrakis(4-hydroxyphenyl)-1,1,3,5,7-pentamethylnonane-1,3,5,7-tetracarboxamide
CID 134463643
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
3-amino-2,2-dimethyl-N-(4-nitrophenyl)propanamide
CID 113307498
N-(4-acetamidophenyl)-2-amino-2-cyclopropylpropanamide
CID 60866095

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide (CID 114290300) is N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide is CCC(C)(CN)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide?
The InChIKey is SGGUENWCAIWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-14(3,9-15)13(19)17-12-7-5-11(6-8-12)16-10(2)18/h5-8H,4,9,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide?
N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(aminomethyl)-2-methylbutanamide is sourced from PubChem (CID 114290300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).