[3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate

C42H45N3O8 — CID 164739459

IUPAC[3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Oc2cc(OC(=O)N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc(N(C)C)c2)cc1
InChIInChI=1S/C42H45N3O8/c1-43(2)34-23-39(52-41(46)44(26-30-7-15-35(48-3)16-8-30)27-31-9-17-36(49-4)18-10-31)25-40(24-34)53-42(47)45(28-32-11-19-37(50-5)20-12-32)29-33-13-21-38(51-6)22-14-33/h7-25H,26-29H2,1-6H3
InChIKeyILDUBMDXMNEADQ-UHFFFAOYSA-N
MW719.83 g/mol
LogP8.19
Rot. Bonds15

About [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate

[3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate (PubChem CID 164739459) has the molecular formula C42H45N3O8 and a molecular weight of 719.83 g/mol. Its IUPAC name is [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate
PubChem CID164739459
Molecular FormulaC42H45N3O8
Molecular Weight719.83 g/mol
Exact Mass719.32
IUPAC Name[3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Oc2cc(OC(=O)N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc(N(C)C)c2)cc1
InChIInChI=1S/C42H45N3O8/c1-43(2)34-23-39(52-41(46)44(26-30-7-15-35(48-3)16-8-30)27-31-9-17-36(49-4)18-10-31)25-40(24-34)53-42(47)45(28-32-11-19-37(50-5)20-12-32)29-33-13-21-38(51-6)22-14-33/h7-25H,26-29H2,1-6H3
InChIKeyILDUBMDXMNEADQ-UHFFFAOYSA-N
XLogP8.19
TPSA99.24 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.83
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate with MolForge

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamoyl chloride
CID 164739560
[6-[[[4-(dimethylamino)phenyl]methyl-[(4-methoxyphenyl)methyl]carbamoyl]oxymethyl]-2-pyridinyl]methyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 164739638
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
3-N,5-N-bis[[4-(dimethylamino)phenyl]methyl]-3-N,5-N-bis[(4-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 164739686
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
2-pyridin-2-yloxyethyl N-[[4-(dimethylamino)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]carbamate
CID 170312640
[3-[bis[(3-methoxyphenyl)methyl]carbamoyloxy]-5-[(2,2-dimethylhydrazinyl)methyl]phenyl] N,N-bis[(3-methoxyphenyl)methyl]carbamate
CID 164739584
(3,5-dimethoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 8753262
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 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
CID 101441426
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46988817
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987

Frequently Asked Questions

What is the IUPAC name of [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate (CID 164739459) is [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)Oc2cc(OC(=O)N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc(N(C)C)c2)cc1.
What is the InChIKey of [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is ILDUBMDXMNEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N3O8/c1-43(2)34-23-39(52-41(46)44(26-30-7-15-35(48-3)16-8-30)27-31-9-17-36(49-4)18-10-31)25-40(24-34)53-42(47)45(28-32-11-19-37(50-5)20-12-32)29-33-13-21-38(51-6)22-14-33/h7-25H,26-29H2,1-6H3.
What are the key properties of [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate?
[3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 719.83 g/mol, XLogP of 8.19, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[bis[(4-methoxyphenyl)methyl]carbamoyloxy]-5-(dimethylamino)phenyl] N,N-bis[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 164739459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).