[3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate

C43H48N4O8 — CID 164739584

IUPAC[3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)C(=O)Oc2cc(CNN(C)C)cc(OC(=O)N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)c2)c1
InChIInChI=1S/C43H48N4O8/c1-45(2)44-26-35-23-40(54-42(48)46(27-31-11-7-15-36(19-31)50-3)28-32-12-8-16-37(20-32)51-4)25-41(24-35)55-43(49)47(29-33-13-9-17-38(21-33)52-5)30-34-14-10-18-39(22-34)53-6/h7-25,44H,26-30H2,1-6H3
InChIKeyIYSLOQRTVQZQGV-UHFFFAOYSA-N
MW748.88 g/mol
LogP7.69
Rot. Bonds17

About [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate

[3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate (PubChem CID 164739584) has the molecular formula C43H48N4O8 and a molecular weight of 748.88 g/mol. Its IUPAC name is [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate
PubChem CID164739584
Molecular FormulaC43H48N4O8
Molecular Weight748.88 g/mol
Exact Mass748.35
IUPAC Name[3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CN(Cc2cccc(OC)c2)C(=O)Oc2cc(CNN(C)C)cc(OC(=O)N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)c2)c1
InChIInChI=1S/C43H48N4O8/c1-45(2)44-26-35-23-40(54-42(48)46(27-31-11-7-15-36(19-31)50-3)28-32-12-8-16-37(20-32)51-4)25-41(24-35)55-43(49)47(29-33-13-9-17-38(21-33)52-5)30-34-14-10-18-39(22-34)53-6/h7-25,44H,26-30H2,1-6H3
InChIKeyIYSLOQRTVQZQGV-UHFFFAOYSA-N
XLogP7.69
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.88
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-[(2,2-dimethylhydrazinyl)methyl]phenoxy]ethoxy]ethyl N,N-bis[(3-methoxyphenyl)methyl]carbamate
CID 175706492
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
CID 90758333
1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
CID 134104762
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-(4-bromophenyl)-1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]urea
CID 71655123
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648313
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
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
methyl 3-[(3-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropanoate
CID 79620273

Frequently Asked Questions

What is the IUPAC name of [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate?
The IUPAC name of [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate (CID 164739584) is [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate?
The canonical SMILES for [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate is COc1cccc(CN(Cc2cccc(OC)c2)C(=O)Oc2cc(CNN(C)C)cc(OC(=O)N(Cc3cccc(OC)c3)Cc3cccc(OC)c3)c2)c1.
What is the InChIKey of [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate?
The InChIKey is IYSLOQRTVQZQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N4O8/c1-45(2)44-26-35-23-40(54-42(48)46(27-31-11-7-15-36(19-31)50-3)28-32-12-8-16-37(20-32)51-4)25-41(24-35)55-43(49)47(29-33-13-9-17-38(21-33)52-5)30-34-14-10-18-39(22-34)53-6/h7-25,44H,26-30H2,1-6H3.
What are the key properties of [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate?
[3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate has a molecular weight of 748.88 g/mol, XLogP of 7.69, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 164739584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).