N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide

C13H24N4O — CID 54958672

IUPACN-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
SMILESCC(Cn1ccnc1)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-10(8-17-7-6-14-9-17)15-11(2)12(18)16-13(3,4)5/h6-7,9-11,15H,8H2,1-5H3,(H,16,18)
InChIKeyZCHOIQZUWISHME-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.16
Rot. Bonds5

About N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide

N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide (PubChem CID 54958672) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
PubChem CID54958672
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
SMILESCC(Cn1ccnc1)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-10(8-17-7-6-14-9-17)15-11(2)12(18)16-13(3,4)5/h6-7,9-11,15H,8H2,1-5H3,(H,16,18)
InChIKeyZCHOIQZUWISHME-UHFFFAOYSA-N
XLogP1.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
CID 54959021
2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54958720
N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide
CID 95572632
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
N-[1-(4-tert-butylphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749787
methyl 2-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]propanoate
CID 66173138
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 55208182

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide (CID 54958672) is N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide is CC(Cn1ccnc1)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide?
The InChIKey is ZCHOIQZUWISHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(8-17-7-6-14-9-17)15-11(2)12(18)16-13(3,4)5/h6-7,9-11,15H,8H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide?
N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide is sourced from PubChem (CID 54958672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).