(2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide

C20H28N4O — CID 97028328

IUPAC(2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide
SMILESCCN(CC)C(=O)[C@H](NC[C@@H]1CCCn2ccnc21)c1ccccc1
InChIInChI=1S/C20H28N4O/c1-3-23(4-2)20(25)18(16-9-6-5-7-10-16)22-15-17-11-8-13-24-14-12-21-19(17)24/h5-7,9-10,12,14,17-18,22H,3-4,8,11,13,15H2,1-2H3/t17-,18+/m0/s1
InChIKeyDUKQJYVCUIHDOZ-ZWKOTPCHSA-N
MW340.47 g/mol
LogP2.96
Rot. Bonds7

About (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide

(2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide (PubChem CID 97028328) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide.

Molecular Properties

Compound Name(2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide
PubChem CID97028328
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide
SMILESCCN(CC)C(=O)[C@H](NC[C@@H]1CCCn2ccnc21)c1ccccc1
InChIInChI=1S/C20H28N4O/c1-3-23(4-2)20(25)18(16-9-6-5-7-10-16)22-15-17-11-8-13-24-14-12-21-19(17)24/h5-7,9-10,12,14,17-18,22H,3-4,8,11,13,15H2,1-2H3/t17-,18+/m0/s1
InChIKeyDUKQJYVCUIHDOZ-ZWKOTPCHSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide?
The IUPAC name of (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide (CID 97028328) is (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide.
What is the SMILES notation for (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide?
The canonical SMILES for (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide is CCN(CC)C(=O)[C@H](NC[C@@H]1CCCn2ccnc21)c1ccccc1.
What is the InChIKey of (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide?
The InChIKey is DUKQJYVCUIHDOZ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-23(4-2)20(25)18(16-9-6-5-7-10-16)22-15-17-11-8-13-24-14-12-21-19(17)24/h5-7,9-10,12,14,17-18,22H,3-4,8,11,13,15H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide?
(2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-2-phenyl-2-[[(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]acetamide is sourced from PubChem (CID 97028328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).