(2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide

C20H28N4O — CID 97217319

IUPAC(2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide
SMILESCC(C)(C)c1cn2c(n1)[C@H](CN[C@H](C(N)=O)c1ccccc1)CCC2
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-13-24-11-7-10-15(19(24)23-16)12-22-17(18(21)25)14-8-5-4-6-9-14/h4-6,8-9,13,15,17,22H,7,10-12H2,1-3H3,(H2,21,25)/t15-,17-/m0/s1
InChIKeyRZAGSGBHZSGMPL-RDJZCZTQSA-N
MW340.47 g/mol
LogP2.87
Rot. Bonds5

About (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide

(2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide (PubChem CID 97217319) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide
PubChem CID97217319
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide
SMILESCC(C)(C)c1cn2c(n1)[C@H](CN[C@H](C(N)=O)c1ccccc1)CCC2
InChIInChI=1S/C20H28N4O/c1-20(2,3)16-13-24-11-7-10-15(19(24)23-16)12-22-17(18(21)25)14-8-5-4-6-9-14/h4-6,8-9,13,15,17,22H,7,10-12H2,1-3H3,(H2,21,25)/t15-,17-/m0/s1
InChIKeyRZAGSGBHZSGMPL-RDJZCZTQSA-N
XLogP2.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide
CID 129341130
(2R)-N,N-diethyl-2-phenyl-2-[[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide
CID 97028330
(2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide
CID 97028328
1-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 71929113
(2S)-2-(oxan-4-ylmethylamino)-2-phenylacetamide
CID 97315932
(2S)-2-[[(2R)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 95764406
(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 100838473
(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-phenylacetamide
CID 33473833
4-[8-[(3-aminopropanoylamino)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]benzoic acid
CID 19965258
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163
(2R)-2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209165
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
CID 33481434

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide (CID 97217319) is (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide is CC(C)(C)c1cn2c(n1)[C@H](CN[C@H](C(N)=O)c1ccccc1)CCC2.
What is the InChIKey of (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide?
The InChIKey is RZAGSGBHZSGMPL-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H28N4O/c1-20(2,3)16-13-24-11-7-10-15(19(24)23-16)12-22-17(18(21)25)14-8-5-4-6-9-14/h4-6,8-9,13,15,17,22H,7,10-12H2,1-3H3,(H2,21,25)/t15-,17-/m0/s1.
What are the key properties of (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide?
(2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide has a molecular weight of 340.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(8S)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 97217319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).