2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide

C33H43N3O8 — CID 131741574

IUPAC2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide
SMILESCOCCC(OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O.O=C(O)CNNC(=O)CCCCCO
InChIInChI=1S/C25H27NO4.C8H16N2O4/c1-28-18-17-23(24(26)27)30-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(29-2)16-14-21;11-5-3-1-2-4-7(12)10-9-6-8(13)14/h3-16,23H,17-18H2,1-2H3,(H2,26,27);9,11H,1-6H2,(H,10,12)(H,13,14)
InChIKeyNKLJXLZCOMVVEX-UHFFFAOYSA-N
MW609.72 g/mol
LogP3.14
Rot. Bonds18

About 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide

2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide (PubChem CID 131741574) has the molecular formula C33H43N3O8 and a molecular weight of 609.72 g/mol. Its IUPAC name is 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide.

Molecular Properties

Compound Name2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide
PubChem CID131741574
Molecular FormulaC33H43N3O8
Molecular Weight609.72 g/mol
Exact Mass609.31
IUPAC Name2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide
SMILESCOCCC(OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O.O=C(O)CNNC(=O)CCCCCO
InChIInChI=1S/C25H27NO4.C8H16N2O4/c1-28-18-17-23(24(26)27)30-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(29-2)16-14-21;11-5-3-1-2-4-7(12)10-9-6-8(13)14/h3-16,23H,17-18H2,1-2H3,(H2,26,27);9,11H,1-6H2,(H,10,12)(H,13,14)
InChIKeyNKLJXLZCOMVVEX-UHFFFAOYSA-N
XLogP3.14
TPSA169.44 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.72
LogP ≤ 53.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

amino-[[4-methoxy-4-[(4-methoxyphenyl)-diphenylmethoxy]butyl]amino]phosphinous acid;2-[[2-(2-hexanoylhydrazinyl)acetyl]amino]acetic acid
CID 175072276
2-aminoacetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]dodecanamide
CID 131736538
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
N-[4-[bis(4-methoxyphenyl)-phenylmethoxy]butyl]-9-hydroxy-4-oxononanamide
CID 158860179
methyl 12-[[(2S,3R)-1-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-12-oxododec-2-enoate
CID 177254517
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
4-methoxy-2-phenoxybutanamide
CID 154446744
6-[4-[(4-methoxyphenyl)-diphenylmethoxy]but-2-enoxy]hexanoic acid
CID 54451752
6-amino-N-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxybutan-2-yl]hexanamide
CID 68809639
6-[[bis(4-methoxyphenyl)-phenylmethyl]amino]oxyhexan-1-ol
CID 101065100
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
4-[4-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-1-(6-hydroxyhexanoyl)pyrrolidin-3-yl]oxy-4-oxobutanoic acid
CID 145481231

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide?
The IUPAC name of 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide (CID 131741574) is 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide.
What is the SMILES notation for 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide?
The canonical SMILES for 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide is COCCC(OC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)C(N)=O.O=C(O)CNNC(=O)CCCCCO.
What is the InChIKey of 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide?
The InChIKey is NKLJXLZCOMVVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4.C8H16N2O4/c1-28-18-17-23(24(26)27)30-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)21-13-15-22(29-2)16-14-21;11-5-3-1-2-4-7(12)10-9-6-8(13)14/h3-16,23H,17-18H2,1-2H3,(H2,26,27);9,11H,1-6H2,(H,10,12)(H,13,14).
What are the key properties of 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide?
2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide has a molecular weight of 609.72 g/mol, XLogP of 3.14, 18 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-hydroxyhexanoyl)hydrazinyl]acetic acid;4-methoxy-2-[(4-methoxyphenyl)-diphenylmethoxy]butanamide is sourced from PubChem (CID 131741574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).