3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide

C10H18N4O — CID 62324788

IUPAC3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
SMILESCNC(=O)CCNC(C)Cn1ccnc1
InChIInChI=1S/C10H18N4O/c1-9(7-14-6-5-12-8-14)13-4-3-10(15)11-2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,11,15)
InChIKeyCZEOTQJEVGCHEB-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.00
Rot. Bonds6

About 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide

3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide (PubChem CID 62324788) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
PubChem CID62324788
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
SMILESCNC(=O)CCNC(C)Cn1ccnc1
InChIInChI=1S/C10H18N4O/c1-9(7-14-6-5-12-8-14)13-4-3-10(15)11-2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,11,15)
InChIKeyCZEOTQJEVGCHEB-UHFFFAOYSA-N
XLogP-0.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate
CID 61479265
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
methyl 4-(1-imidazol-1-ylpropan-2-ylamino)butanoate
CID 61479528
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
9-imidazol-1-yl-N-methylnonanamide
CID 12803322
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030707
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503

Frequently Asked Questions

What is the IUPAC name of 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide?
The IUPAC name of 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide (CID 62324788) is 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide.
What is the SMILES notation for 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide?
The canonical SMILES for 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide is CNC(=O)CCNC(C)Cn1ccnc1.
What is the InChIKey of 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide?
The InChIKey is CZEOTQJEVGCHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9(7-14-6-5-12-8-14)13-4-3-10(15)11-2/h5-6,8-9,13H,3-4,7H2,1-2H3,(H,11,15).
What are the key properties of 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide?
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide has a molecular weight of 210.28 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide is sourced from PubChem (CID 62324788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).