N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide

C13H20N4O2 — CID 153381551

IUPACN-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide
SMILESC=C(C)NCCC(=O)NC(Cc1cnc[nH]1)C(C)=O
InChIInChI=1S/C13H20N4O2/c1-9(2)15-5-4-13(19)17-12(10(3)18)6-11-7-14-8-16-11/h7-8,12,15H,1,4-6H2,2-3H3,(H,14,16)(H,17,19)
InChIKeyUFDBLBRDQQJVJE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.54
Rot. Bonds8

About N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide

N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide (PubChem CID 153381551) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide
PubChem CID153381551
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide
SMILESC=C(C)NCCC(=O)NC(Cc1cnc[nH]1)C(C)=O
InChIInChI=1S/C13H20N4O2/c1-9(2)15-5-4-13(19)17-12(10(3)18)6-11-7-14-8-16-11/h7-8,12,15H,1,4-6H2,2-3H3,(H,14,16)(H,17,19)
InChIKeyUFDBLBRDQQJVJE-UHFFFAOYSA-N
XLogP0.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 10221026
2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanethioic S-acid
CID 154500838
3-(1H-imidazol-5-yl)-2-(3-oxobutylcarbamoylamino)propanoic acid
CID 118534669
(2R)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 163342512
5-[[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]amino]-2,2-dimethyl-5-oxopentanoic acid
CID 123583527
tert-butyl (2R)-3-(1H-imidazol-5-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 101482073
(2R)-2-[3-(ethylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894538
3-(1H-imidazol-5-yl)-2-[3-(1-sulfanylethylamino)propanoylamino]propanoic acid
CID 123248896
N-[3-(1H-imidazol-5-yl)-1-oxo-1-(tetradecylamino)propan-2-yl]tetradecanamide
CID 123905839
(2-methylprop-2-enoylamino) (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 175324960
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 70890007
4-(1H-imidazol-5-yl)-3-(iodoamino)butan-2-one
CID 152954292

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide?
The IUPAC name of N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide (CID 153381551) is N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide.
What is the SMILES notation for N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide?
The canonical SMILES for N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide is C=C(C)NCCC(=O)NC(Cc1cnc[nH]1)C(C)=O.
What is the InChIKey of N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide?
The InChIKey is UFDBLBRDQQJVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)15-5-4-13(19)17-12(10(3)18)6-11-7-14-8-16-11/h7-8,12,15H,1,4-6H2,2-3H3,(H,14,16)(H,17,19).
What are the key properties of N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide?
N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-(prop-1-en-2-ylamino)propanamide is sourced from PubChem (CID 153381551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).