2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide

C35H48N2O6 — CID 131736538

IUPAC2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide
SMILESCCCCCCCCC(CC(OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O)OC.NCC(=O)O
InChIInChI=1S/C33H43NO4.C2H5NO2/c1-4-5-6-7-8-15-20-30(37-3)25-31(32(34)35)38-33(26-16-11-9-12-17-26,27-18-13-10-14-19-27)28-21-23-29(36-2)24-22-28;3-1-2(4)5/h9-14,16-19,21-24,30-31H,4-8,15,20,25H2,1-3H3,(H2,34,35);1,3H2,(H,4,5)
InChIKeyIRCSWDLMDYBBRE-UHFFFAOYSA-N
MW592.78 g/mol
LogP6.04
Rot. Bonds18

About 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide

2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide (PubChem CID 131736538) has the molecular formula C35H48N2O6 and a molecular weight of 592.78 g/mol. Its IUPAC name is 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide.

Molecular Properties

Compound Name2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide
PubChem CID131736538
Molecular FormulaC35H48N2O6
Molecular Weight592.78 g/mol
Exact Mass592.35
IUPAC Name2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide
SMILESCCCCCCCCC(CC(OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O)OC.NCC(=O)O
InChIInChI=1S/C33H43NO4.C2H5NO2/c1-4-5-6-7-8-15-20-30(37-3)25-31(32(34)35)38-33(26-16-11-9-12-17-26,27-18-13-10-14-19-27)28-21-23-29(36-2)24-22-28;3-1-2(4)5/h9-14,16-19,21-24,30-31H,4-8,15,20,25H2,1-3H3,(H2,34,35);1,3H2,(H,4,5)
InChIKeyIRCSWDLMDYBBRE-UHFFFAOYSA-N
XLogP6.04
TPSA134.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.78
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-[4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]dodecanamide
CID 131736534
2-aminoacetic acid;4,4-dimethoxy-2-trityloxybutanamide
CID 174730220
[2-methoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propyl] N-octadecylcarbamate
CID 19780189
2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide
CID 131741574
1-[bis(4-methoxyphenyl)-phenylmethoxy]nonan-3-ol
CID 143649283
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropyl] octadecanoate
CID 11115011
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
(E)-1-[bis(4-methoxyphenyl)-phenylmethoxy]icos-11-en-3-ol
CID 68745223
4-methoxydodecanoic acid
CID 141170784
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-7-hydroxyundecan-6-yl] acetate
CID 162096764

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide?
The IUPAC name of 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide (CID 131736538) is 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide.
What is the SMILES notation for 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide?
The canonical SMILES for 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide is CCCCCCCCC(CC(OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O)OC.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide?
The InChIKey is IRCSWDLMDYBBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43NO4.C2H5NO2/c1-4-5-6-7-8-15-20-30(37-3)25-31(32(34)35)38-33(26-16-11-9-12-17-26,27-18-13-10-14-19-27)28-21-23-29(36-2)24-22-28;3-1-2(4)5/h9-14,16-19,21-24,30-31H,4-8,15,20,25H2,1-3H3,(H2,34,35);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide?
2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide has a molecular weight of 592.78 g/mol, XLogP of 6.04, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide is sourced from PubChem (CID 131736538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).