2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide

C12H22N4O — CID 54959021

IUPAC2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)Cn1ccnc1
InChIInChI=1S/C12H22N4O/c1-4-5-14-12(17)11(3)15-10(2)8-16-7-6-13-9-16/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyNZUIYLDIVIYWLP-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.78
Rot. Bonds7

About 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide

2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide (PubChem CID 54959021) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
PubChem CID54959021
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)Cn1ccnc1
InChIInChI=1S/C12H22N4O/c1-4-5-14-12(17)11(3)15-10(2)8-16-7-6-13-9-16/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,14,17)
InChIKeyNZUIYLDIVIYWLP-UHFFFAOYSA-N
XLogP0.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 54958672
2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54958720
1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea
CID 115583370
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
2-bromo-N-(2-imidazol-1-ylethyl)propanamide
CID 82108600
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 55208182
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599

Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide?
The IUPAC name of 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide (CID 54959021) is 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide?
The canonical SMILES for 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC(C)Cn1ccnc1.
What is the InChIKey of 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide?
The InChIKey is NZUIYLDIVIYWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-5-14-12(17)11(3)15-10(2)8-16-7-6-13-9-16/h6-7,9-11,15H,4-5,8H2,1-3H3,(H,14,17).
What are the key properties of 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide?
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide is sourced from PubChem (CID 54959021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).