4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide

C14H26N4O — CID 81075326

IUPAC4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-11(8-15)7-13(19)17-12(14(2,3)4)9-18-6-5-16-10-18/h5-6,10-12H,7-9,15H2,1-4H3,(H,17,19)
InChIKeyIDSIWFFHJFAMGR-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.40
Rot. Bonds6

About 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide

4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide (PubChem CID 81075326) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
PubChem CID81075326
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
SMILESCC(CN)CC(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-11(8-15)7-13(19)17-12(14(2,3)4)9-18-6-5-16-10-18/h5-6,10-12H,7-9,15H2,1-4H3,(H,17,19)
InChIKeyIDSIWFFHJFAMGR-UHFFFAOYSA-N
XLogP1.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
2-(cyclopentylamino)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 60846927
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
CID 72913534
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786820
4,5-dibromo-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 78975141
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 97445983

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide (CID 81075326) is 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide is CC(CN)CC(=O)NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide?
The InChIKey is IDSIWFFHJFAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11(8-15)7-13(19)17-12(14(2,3)4)9-18-6-5-16-10-18/h5-6,10-12H,7-9,15H2,1-4H3,(H,17,19).
What are the key properties of 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide?
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide has a molecular weight of 266.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 81075326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).