4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide

C12H17N3O — CID 142201014

IUPAC4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide
SMILES[H]/N=C(\c1cccc(N)c1)C(C)(C)CC(N)=O
InChIInChI=1S/C12H17N3O/c1-12(2,7-10(14)16)11(15)8-4-3-5-9(13)6-8/h3-6,15H,7,13H2,1-2H3,(H2,14,16)/b15-11+
InChIKeyXRUDPUAENMIROF-RVDMUPIBSA-N
MW219.29 g/mol
LogP1.54
Rot. Bonds4

About 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide

4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide (PubChem CID 142201014) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide
PubChem CID142201014
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide
SMILES[H]/N=C(\c1cccc(N)c1)C(C)(C)CC(N)=O
InChIInChI=1S/C12H17N3O/c1-12(2,7-10(14)16)11(15)8-4-3-5-9(13)6-8/h3-6,15H,7,13H2,1-2H3,(H2,14,16)/b15-11+
InChIKeyXRUDPUAENMIROF-RVDMUPIBSA-N
XLogP1.54
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2,2-dimethylpentan-1-one
CID 151174957
3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-aminobenzoic acid;prop-1-yne
CID 88718779
3-aminobenzoic acid;azane
CID 159954068
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
(3-methoxy-2,2-dimethyl-3-oxopropyl) 3-aminobenzoate
CID 79620793
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
3-aminobenzoic acid;ethoxyethane
CID 70021717
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
1-(3-aminophenyl)-2-chloro-2-methylsulfonylpropan-1-one
CID 102549750
(3-aminobenzoyl)azanium
CID 142343873

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide?
The IUPAC name of 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide (CID 142201014) is 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide.
What is the SMILES notation for 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide?
The canonical SMILES for 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide is [H]/N=C(\c1cccc(N)c1)C(C)(C)CC(N)=O.
What is the InChIKey of 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide?
The InChIKey is XRUDPUAENMIROF-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,7-10(14)16)11(15)8-4-3-5-9(13)6-8/h3-6,15H,7,13H2,1-2H3,(H2,14,16)/b15-11+.
What are the key properties of 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide?
4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide has a molecular weight of 219.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-4-imino-3,3-dimethylbutanamide is sourced from PubChem (CID 142201014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).