(2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide

C16H28N4O2 — CID 154864877

IUPAC(2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide
SMILESCCCCN(CCCC)C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O
InChIInChI=1S/C16H28N4O2/c1-4-6-8-20(9-7-5-2)16(22)15(19-13(3)21)10-14-11-17-12-18-14/h11-12,15H,4-10H2,1-3H3,(H,17,18)(H,19,21)/t15-/m0/s1
InChIKeyWOAYWICDBOCVHN-HNNXBMFYSA-N
MW308.43 g/mol
LogP1.89
Rot. Bonds10

About (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide

(2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide (PubChem CID 154864877) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide
PubChem CID154864877
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide
SMILESCCCCN(CCCC)C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O
InChIInChI=1S/C16H28N4O2/c1-4-6-8-20(9-7-5-2)16(22)15(19-13(3)21)10-14-11-17-12-18-14/h11-12,15H,4-10H2,1-3H3,(H,17,18)(H,19,21)/t15-/m0/s1
InChIKeyWOAYWICDBOCVHN-HNNXBMFYSA-N
XLogP1.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dihexadecylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-[[4-[[1-(dihexadecylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl]phenyl]diazenyl]benzamide
CID 102573169
2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 23278346
(2S)-2-[[2-(dioctylamino)-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 90347165
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-(1H-imidazol-5-yl)-N-prop-2-enylpropanamide
CID 46988036
(2S)-3-(1H-imidazol-5-yl)-2-[[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198534
(2S)-3-(1H-imidazol-5-yl)-2-(pentadecanoylamino)propanoic acid
CID 130237897
(2S)-3-(1H-imidazol-5-yl)-2-(pentacosanoylamino)propanoic acid
CID 171116857
[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] 2-acetamido-3-(1H-imidazol-5-yl)propanoate
CID 176774202
(2S)-2-[2-[[(2R)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 101464053
4-(1H-imidazol-5-yl)-3-(iodoamino)butan-2-one
CID 152954292
2-acetamido-N-benzyl-3-(1H-imidazol-5-yl)-N-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]propanamide
CID 20680272
butyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate;dihydrochloride
CID 68602935

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide (CID 154864877) is (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide is CCCCN(CCCC)C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is WOAYWICDBOCVHN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-6-8-20(9-7-5-2)16(22)15(19-13(3)21)10-14-11-17-12-18-14/h11-12,15H,4-10H2,1-3H3,(H,17,18)(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide?
(2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 308.43 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N,N-dibutyl-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 154864877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).