CID 153405105

C20H25N2O3 — CID 153405105

IUPAC—
SMILESC=C/C(C)=C1/N=C(C(=O)NC(CC(=O)OC)c2ccccc2)[CH]C1=C.[H][H].[H][H]
InChIInChI=1S/C20H21N2O3.2H2/c1-5-13(2)19-14(3)11-17(21-19)20(24)22-16(12-18(23)25-4)15-9-7-6-8-10-15;;/h5-11,16H,1,3,12H2,2,4H3,(H,22,24);2*1H/b19-13+;;
InChIKeyJHZVAYOKDARNQJ-BWSKXRJVSA-N
MW341.43 g/mol
LogP3.57
Rot. Bonds6

About CID 153405105

CID 153405105 (PubChem CID 153405105) has the molecular formula C20H25N2O3 and a molecular weight of 341.43 g/mol.

Molecular Properties

Compound NameCID 153405105
PubChem CID153405105
Molecular FormulaC20H25N2O3
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name—
SMILESC=C/C(C)=C1/N=C(C(=O)NC(CC(=O)OC)c2ccccc2)[CH]C1=C.[H][H].[H][H]
InChIInChI=1S/C20H21N2O3.2H2/c1-5-13(2)19-14(3)11-17(21-19)20(24)22-16(12-18(23)25-4)15-9-7-6-8-10-15;;/h5-11,16H,1,3,12H2,2,4H3,(H,22,24);2*1H/b19-13+;;
InChIKeyJHZVAYOKDARNQJ-BWSKXRJVSA-N
XLogP3.57
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57222749
Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (4f)
CID 91074443
ethyl 3-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 44390928
Methyl 3-acetamido-3-phenylpropanoate
CID 22569078
methyl (3R)-3-acetamido-3-(4-fluorophenyl)propanoate
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Methyl 3-acetamido-3-(4-fluorophenyl)propanoate
CID 47364496
methyl (2R,3S)-3-acetamido-2-fluoro-3-phenylpropanoate
CID 101513403
methyl (2R)-2-[(R)-phenyl-[(2,2,2-trifluoroacetyl)amino]methyl]pent-4-enoate
CID 101988128
methyl (2S)-2-[(R)-phenyl-[(2,2,2-trifluoroacetyl)amino]methyl]pent-4-enoate
CID 134917948
Ethyl 3-(octylamino)-3-phenyl-propanoate
CID 16078854

Frequently Asked Questions

What is the IUPAC name of CID 153405105?
The IUPAC name of CID 153405105 (CID 153405105) is not available.
What is the SMILES notation for CID 153405105?
The canonical SMILES for CID 153405105 is C=C/C(C)=C1/N=C(C(=O)NC(CC(=O)OC)c2ccccc2)[CH]C1=C.[H][H].[H][H].
What is the InChIKey of CID 153405105?
The InChIKey is JHZVAYOKDARNQJ-BWSKXRJVSA-N. The full InChI is InChI=1S/C20H21N2O3.2H2/c1-5-13(2)19-14(3)11-17(21-19)20(24)22-16(12-18(23)25-4)15-9-7-6-8-10-15;;/h5-11,16H,1,3,12H2,2,4H3,(H,22,24);2*1H/b19-13+;;.
What are the key properties of CID 153405105?
CID 153405105 has a molecular weight of 341.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153405105 is sourced from PubChem (CID 153405105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).