N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

C13H22N4O2 — CID 21056271

IUPACN-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NC(Cc1cnc[nH]1)C(C)=O)C(C)C
InChIInChI=1S/C13H22N4O2/c1-8(2)12(14-4)13(19)17-11(9(3)18)5-10-6-15-7-16-10/h6-8,11-12,14H,5H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyHTCORWYMJBBEIP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.27
Rot. Bonds7

About N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide

N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide (PubChem CID 21056271) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
PubChem CID21056271
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide
SMILESCNC(C(=O)NC(Cc1cnc[nH]1)C(C)=O)C(C)C
InChIInChI=1S/C13H22N4O2/c1-8(2)12(14-4)13(19)17-11(9(3)18)5-10-6-15-7-16-10/h6-8,11-12,14H,5H2,1-4H3,(H,15,16)(H,17,19)
InChIKeyHTCORWYMJBBEIP-UHFFFAOYSA-N
XLogP0.27
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diaminomethylideneamino)-N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-2-(methylamino)propanamide
CID 54561948
4-(1H-imidazol-5-yl)-3-(iodoamino)butan-2-one
CID 152954292
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]propanamide
CID 58213399
2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18218585
2-[[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18500593
(2S)-2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 65229461
(2S)-3-(1H-imidazol-5-yl)-2-(2-nitrosopropanoylamino)propanoic acid
CID 88923241
2-[[2-[[3-hydroxy-2-[[3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]pentanedioic acid
CID 139351088
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 73353617
2-[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18240132
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 103870459

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide?
The IUPAC name of N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide (CID 21056271) is N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide.
What is the SMILES notation for N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide?
The canonical SMILES for N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide is CNC(C(=O)NC(Cc1cnc[nH]1)C(C)=O)C(C)C.
What is the InChIKey of N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide?
The InChIKey is HTCORWYMJBBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)12(14-4)13(19)17-11(9(3)18)5-10-6-15-7-16-10/h6-8,11-12,14H,5H2,1-4H3,(H,15,16)(H,17,19).
What are the key properties of N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide?
N-[1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]-3-methyl-2-(methylamino)butanamide has a molecular weight of 266.34 g/mol, XLogP of 0.27, 7 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-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 21056271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).