N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide

C32H40N2O4 — CID 91227714

IUPACN'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
SMILESCCCCCCCCCCCCOc1ccc(N(C(=O)C(N)=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C32H40N2O4/c1-2-3-4-5-6-7-8-9-10-14-25-37-28-21-17-26(18-22-28)34(32(36)31(33)35)27-19-23-30(24-20-27)38-29-15-12-11-13-16-29/h11-13,15-24H,2-10,14,25H2,1H3,(H2,33,35)
InChIKeyFFWYFIQNAVVYND-UHFFFAOYSA-N
MW516.68 g/mol
LogP7.93
Rot. Bonds16

About N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide

N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide (PubChem CID 91227714) has the molecular formula C32H40N2O4 and a molecular weight of 516.68 g/mol. Its IUPAC name is N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
PubChem CID91227714
Molecular FormulaC32H40N2O4
Molecular Weight516.68 g/mol
Exact Mass516.30
IUPAC NameN'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
SMILESCCCCCCCCCCCCOc1ccc(N(C(=O)C(N)=O)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C32H40N2O4/c1-2-3-4-5-6-7-8-9-10-14-25-37-28-21-17-26(18-22-28)34(32(36)31(33)35)27-19-23-30(24-20-27)38-29-15-12-11-13-16-29/h11-13,15-24H,2-10,14,25H2,1H3,(H2,33,35)
InChIKeyFFWYFIQNAVVYND-UHFFFAOYSA-N
XLogP7.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.68
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethene;nonoxybenzene;phenoxybenzene
CID 174749747
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CID 18996788
octyl 2-oxo-2-(N-phenylanilino)acetate
CID 141196230
pentoxybenzene;undecane
CID 174778179
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
acetic acid;butoxybenzene
CID 162338086
methyl N-fluoro-N-(4-octoxyphenyl)carbamate
CID 156795675
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
dioctyl benzene-1,2-dicarboxylate;phenoxybenzene
CID 158493945
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
pentyl 2-[(4-phenoxyphenyl)carbamoylamino]acetate
CID 3431622

Frequently Asked Questions

What is the IUPAC name of N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide (CID 91227714) is N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide is CCCCCCCCCCCCOc1ccc(N(C(=O)C(N)=O)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide?
The InChIKey is FFWYFIQNAVVYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O4/c1-2-3-4-5-6-7-8-9-10-14-25-37-28-21-17-26(18-22-28)34(32(36)31(33)35)27-19-23-30(24-20-27)38-29-15-12-11-13-16-29/h11-13,15-24H,2-10,14,25H2,1H3,(H2,33,35).
What are the key properties of N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide?
N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide has a molecular weight of 516.68 g/mol, XLogP of 7.93, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-dodecoxyphenyl)-N'-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 91227714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).