[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate

C21H26N2O5 — CID 8920628

IUPAC[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C21H26N2O5/c1-14(19(25)22-12-17-6-5-11-27-17)28-18(24)13-23-20(26)15-7-9-16(10-8-15)21(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyUBBCQKGOLOQVHW-CQSZACIVSA-N
MW386.45 g/mol
LogP2.56
Rot. Bonds7

About [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate

[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 8920628) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID8920628
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C21H26N2O5/c1-14(19(25)22-12-17-6-5-11-27-17)28-18(24)13-23-20(26)15-7-9-16(10-8-15)21(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,26)/t14-/m1/s1
InChIKeyUBBCQKGOLOQVHW-CQSZACIVSA-N
XLogP2.56
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate with MolForge

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Related Compounds

[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881356
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
[1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 46791748
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854498
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854508
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-(acetamidomethyl)benzoate
CID 18195612
[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971634
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920281
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925134
4-N-tert-butyl-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 48845379

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate (CID 8920628) is [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate is C[C@@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1.
What is the InChIKey of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is UBBCQKGOLOQVHW-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14(19(25)22-12-17-6-5-11-27-17)28-18(24)13-23-20(26)15-7-9-16(10-8-15)21(2,3)4/h5-11,14H,12-13H2,1-4H3,(H,22,25)(H,23,26)/t14-/m1/s1.
What are the key properties of [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate?
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 386.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 8920628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).