2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate

C30H39N3O6 — CID 175706492

IUPAC2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)C(=O)OCCOCCOc2cccc(CNN(C)C)c2)c1
InChIInChI=1S/C30H39N3O6/c1-32(2)31-21-24-8-5-13-29(18-24)38-16-14-37-15-17-39-30(34)33(22-25-9-6-11-27(19-25)35-3)23-26-10-7-12-28(20-26)36-4/h5-13,18-20,31H,14-17,21-23H2,1-4H3
InChIKeyMENHRGGBFKAXHF-UHFFFAOYSA-N
MW537.66 g/mol
LogP4.50
Rot. Bonds16

About 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate

2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate (PubChem CID 175706492) has the molecular formula C30H39N3O6 and a molecular weight of 537.66 g/mol. Its IUPAC name is 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate
PubChem CID175706492
Molecular FormulaC30H39N3O6
Molecular Weight537.66 g/mol
Exact Mass537.28
IUPAC Name2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)C(=O)OCCOCCOc2cccc(CNN(C)C)c2)c1
InChIInChI=1S/C30H39N3O6/c1-32(2)31-21-24-8-5-13-29(18-24)38-16-14-37-15-17-39-30(34)33(22-25-9-6-11-27(19-25)35-3)23-26-10-7-12-28(20-26)36-4/h5-13,18-20,31H,14-17,21-23H2,1-4H3
InChIKeyMENHRGGBFKAXHF-UHFFFAOYSA-N
XLogP4.50
TPSA81.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.66
LogP ≤ 54.50
H-Bond Donors ≤ 51
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'}

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Related Compounds

[3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate
CID 164739584
bis[2-[2-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]ethoxy]ethyl] pyridine-2,6-dicarboxylate
CID 164739457
2-[[5-[2-[[4-(dimethylamino)phenyl]methyl-[(3-methoxyphenyl)methyl]carbamoyl]oxyethoxy]-3-pyridinyl]oxy]ethyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]carbamate
CID 164739775
2-pyridin-2-yloxyethyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]carbamate
CID 170312615
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
2-[2-[2-[2-[2-[2-[[4-(dimethylamino)phenyl]methyl-[(4-methoxyphenyl)methyl]carbamoyl]oxyethoxy]ethoxy]ethyl-methylamino]ethoxy]ethoxy]ethyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 164739760
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 21119889
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate?
The IUPAC name of 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate (CID 175706492) is 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate?
The canonical SMILES for 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate is COc1cccc(CN(Cc2cccc(OC)c2)C(=O)OCCOCCOc2cccc(CNN(C)C)c2)c1.
What is the InChIKey of 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate?
The InChIKey is MENHRGGBFKAXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O6/c1-32(2)31-21-24-8-5-13-29(18-24)38-16-14-37-15-17-39-30(34)33(22-25-9-6-11-27(19-25)35-3)23-26-10-7-12-28(20-26)36-4/h5-13,18-20,31H,14-17,21-23H2,1-4H3.
What are the key properties of 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate?
2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate has a molecular weight of 537.66 g/mol, XLogP of 4.50, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 175706492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).