1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide

C34H34N4O6 — CID 102065478

IUPAC1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
SMILESNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(C(=O)NC(Cc2ccc(OCCc3ccccc3)cc2)C(N)=O)cc1
InChIInChI=1S/C34H34N4O6/c35-31(40)29(20-23-6-14-27(39)15-7-23)37-33(42)25-10-12-26(13-11-25)34(43)38-30(32(36)41)21-24-8-16-28(17-9-24)44-19-18-22-4-2-1-3-5-22/h1-17,29-30,39H,18-21H2,(H2,35,40)(H2,36,41)(H,37,42)(H,38,43)
InChIKeyPZPNHTQHKKSPPE-UHFFFAOYSA-N
MW594.67 g/mol
LogP2.67
Rot. Bonds14

About 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide

1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide (PubChem CID 102065478) has the molecular formula C34H34N4O6 and a molecular weight of 594.67 g/mol. Its IUPAC name is 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
PubChem CID102065478
Molecular FormulaC34H34N4O6
Molecular Weight594.67 g/mol
Exact Mass594.25
IUPAC Name1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
SMILESNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(C(=O)NC(Cc2ccc(OCCc3ccccc3)cc2)C(N)=O)cc1
InChIInChI=1S/C34H34N4O6/c35-31(40)29(20-23-6-14-27(39)15-7-23)37-33(42)25-10-12-26(13-11-25)34(43)38-30(32(36)41)21-24-8-16-28(17-9-24)44-19-18-22-4-2-1-3-5-22/h1-17,29-30,39H,18-21H2,(H2,35,40)(H2,36,41)(H,37,42)(H,38,43)
InChIKeyPZPNHTQHKKSPPE-UHFFFAOYSA-N
XLogP2.67
TPSA173.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.67
LogP ≤ 52.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide with MolForge

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Related Compounds

1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
N-[(2S)-1-(hydroxyamino)-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
CID 71452975
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
methyl 2-[[4-(2-naphthalen-2-ylethoxy)benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 66912801
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
butyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 101068161
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-pyridin-3-yloxybenzamide
CID 49083866
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
3-(4-hydroxyphenyl)-2-[[2-[(4-methoxybenzoyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 13293155
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-2-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66913028
(2S)-2-[[4-[2-(dibenzylamino)ethoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 66912654

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide (CID 102065478) is 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide is NC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccc(C(=O)NC(Cc2ccc(OCCc3ccccc3)cc2)C(N)=O)cc1.
What is the InChIKey of 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide?
The InChIKey is PZPNHTQHKKSPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O6/c35-31(40)29(20-23-6-14-27(39)15-7-23)37-33(42)25-10-12-26(13-11-25)34(43)38-30(32(36)41)21-24-8-16-28(17-9-24)44-19-18-22-4-2-1-3-5-22/h1-17,29-30,39H,18-21H2,(H2,35,40)(H2,36,41)(H,37,42)(H,38,43).
What are the key properties of 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide?
1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 594.67 g/mol, XLogP of 2.67, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-N-[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 102065478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).