N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide

C14H26N4O — CID 60843290

IUPACN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-14(2,3)12(10-18-9-8-16-11-18)17-13(19)6-5-7-15-4/h8-9,11-12,15H,5-7,10H2,1-4H3,(H,17,19)
InChIKeyAFKRUBUFVFJFJF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.41
Rot. Bonds7

About N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide (PubChem CID 60843290) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
PubChem CID60843290
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(Cn1ccnc1)C(C)(C)C
InChIInChI=1S/C14H26N4O/c1-14(2,3)12(10-18-9-8-16-11-18)17-13(19)6-5-7-15-4/h8-9,11-12,15H,5-7,10H2,1-4H3,(H,17,19)
InChIKeyAFKRUBUFVFJFJF-UHFFFAOYSA-N
XLogP1.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
1-amino-N-[(2R)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 95557386
N-(3-imidazol-1-yl-2-methylpropyl)-4-(methylamino)butanamide;dihydrochloride
CID 119859023
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
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
3-(2-amino-1,3-thiazol-4-yl)-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
CID 72913534
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
3-imidazo[1,2-a]pyridin-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)propanamide
CID 74247075
(2S,3S)-2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylpentanamide
CID 61155448

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide?
The IUPAC name of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide (CID 60843290) is N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide?
The canonical SMILES for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide is CNCCCC(=O)NC(Cn1ccnc1)C(C)(C)C.
What is the InChIKey of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide?
The InChIKey is AFKRUBUFVFJFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2,3)12(10-18-9-8-16-11-18)17-13(19)6-5-7-15-4/h8-9,11-12,15H,5-7,10H2,1-4H3,(H,17,19).
What are the key properties of N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide?
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide has a molecular weight of 266.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide is sourced from PubChem (CID 60843290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).