bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate

C36H60Br2N4O4 — CID 70405503

IUPACbromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
SMILESCBr.CBr.CCN(CCCCCCCCCCN(CC)Cc1ccccc1OC(=O)N(C)C)Cc1ccccc1OC(=O)N(C)C
InChIInChI=1S/C34H54N4O4.2CH3Br/c1-7-37(27-29-21-15-17-23-31(29)41-33(39)35(3)4)25-19-13-11-9-10-12-14-20-26-38(8-2)28-30-22-16-18-24-32(30)42-34(40)36(5)6;2*1-2/h15-18,21-24H,7-14,19-20,25-28H2,1-6H3;2*1H3
InChIKeyLCXCGFOQELUAIC-UHFFFAOYSA-N
MW772.71 g/mol
LogP9.29
Rot. Bonds19

About bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate

bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate (PubChem CID 70405503) has the molecular formula C36H60Br2N4O4 and a molecular weight of 772.71 g/mol. Its IUPAC name is bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Namebromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
PubChem CID70405503
Molecular FormulaC36H60Br2N4O4
Molecular Weight772.71 g/mol
Exact Mass770.30
IUPAC Namebromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
SMILESCBr.CBr.CCN(CCCCCCCCCCN(CC)Cc1ccccc1OC(=O)N(C)C)Cc1ccccc1OC(=O)N(C)C
InChIInChI=1S/C34H54N4O4.2CH3Br/c1-7-37(27-29-21-15-17-23-31(29)41-33(39)35(3)4)25-19-13-11-9-10-12-14-20-26-38(8-2)28-30-22-16-18-24-32(30)42-34(40)36(5)6;2*1-2/h15-18,21-24H,7-14,19-20,25-28H2,1-6H3;2*1H3
InChIKeyLCXCGFOQELUAIC-UHFFFAOYSA-N
XLogP9.29
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.71
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[16-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]hexadecyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate
CID 57129302
1-(3,4-dimethoxyphenyl)-7-[ethyl-[(2-methoxyphenyl)methyl]amino]heptan-1-one;hydrochloride
CID 19921887
2,5-dichloro-3,6-bis[6-[ethyl-[(2-methoxyphenyl)methyl]amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 23624875
[2-(dimethylcarbamoyloxy)-3-propylphenyl] N,N-dimethylcarbamate
CID 24836204
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
CID 61011180
methyl N-[2-[ethyl-[(2-methoxyphenyl)methyl]amino]ethyl]carbamate;propane
CID 159616458
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360
benzyl N-[3-[ethyl-[(2-methoxyphenyl)methyl]amino]propyl]carbamate
CID 23625344
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
[2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
CID 3074951
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
CID 62229041
2-[[3-(diethylamino)propyl-ethylamino]methyl]-6-methoxyphenol
CID 102999106

Frequently Asked Questions

What is the IUPAC name of bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate?
The IUPAC name of bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate (CID 70405503) is bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate is CBr.CBr.CCN(CCCCCCCCCCN(CC)Cc1ccccc1OC(=O)N(C)C)Cc1ccccc1OC(=O)N(C)C.
What is the InChIKey of bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate?
The InChIKey is LCXCGFOQELUAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H54N4O4.2CH3Br/c1-7-37(27-29-21-15-17-23-31(29)41-33(39)35(3)4)25-19-13-11-9-10-12-14-20-26-38(8-2)28-30-22-16-18-24-32(30)42-34(40)36(5)6;2*1-2/h15-18,21-24H,7-14,19-20,25-28H2,1-6H3;2*1H3.
What are the key properties of bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate?
bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate has a molecular weight of 772.71 g/mol, XLogP of 9.29, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;[2-[[10-[[2-(dimethylcarbamoyloxy)phenyl]methyl-ethylamino]decyl-ethylamino]methyl]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 70405503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).