N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide

C11H20N4O — CID 62324787

IUPACN-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
SMILESCCNC(=O)CCNC(C)Cn1ccnc1
InChIInChI=1S/C11H20N4O/c1-3-13-11(16)4-5-14-10(2)8-15-7-6-12-9-15/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,13,16)
InChIKeyDCGGNKNZCQNSDR-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.39
Rot. Bonds7

About N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide

N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide (PubChem CID 62324787) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
PubChem CID62324787
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
SMILESCCNC(=O)CCNC(C)Cn1ccnc1
InChIInChI=1S/C11H20N4O/c1-3-13-11(16)4-5-14-10(2)8-15-7-6-12-9-15/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,13,16)
InChIKeyDCGGNKNZCQNSDR-UHFFFAOYSA-N
XLogP0.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
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)pentan-1-amine
CID 43749599
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
CID 177063999
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propylpropanamide
CID 54959021
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide?
The IUPAC name of N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide (CID 62324787) is N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide.
What is the SMILES notation for N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide?
The canonical SMILES for N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide is CCNC(=O)CCNC(C)Cn1ccnc1.
What is the InChIKey of N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide?
The InChIKey is DCGGNKNZCQNSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-13-11(16)4-5-14-10(2)8-15-7-6-12-9-15/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide?
N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide is sourced from PubChem (CID 62324787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).