[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate

C29H38N4O2 — CID 54257011

IUPAC[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate
SMILESCCN(CC)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c(OC(=O)NC)c1
InChIInChI=1S/C29H38N4O2/c1-8-33(9-2)25-18-19-26(27(20-25)35-29(34)30-3)28(21-10-14-23(15-11-21)31(4)5)22-12-16-24(17-13-22)32(6)7/h10-20,28H,8-9H2,1-7H3,(H,30,34)
InChIKeyRATZCHDWKWZASC-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.56
Rot. Bonds9

About [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate

[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate (PubChem CID 54257011) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate
PubChem CID54257011
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC Name[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate
SMILESCCN(CC)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c(OC(=O)NC)c1
InChIInChI=1S/C29H38N4O2/c1-8-33(9-2)25-18-19-26(27(20-25)35-29(34)30-3)28(21-10-14-23(15-11-21)31(4)5)22-12-16-24(17-13-22)32(6)7/h10-20,28H,8-9H2,1-7H3,(H,30,34)
InChIKeyRATZCHDWKWZASC-UHFFFAOYSA-N
XLogP5.56
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate 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-[bis[4-(dibenzylamino)phenyl]methyl]-5-(dimethylamino)phenyl] N-methylcarbamate
CID 172723682
4-[bis[4-(diethylamino)phenyl]methyl]-3-methoxy-N,N-dimethylaniline
CID 139618070
4-[bis[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-propan-2-yloxyaniline
CID 139618074
[2-chloro-5-(dimethylamino)phenyl] N-methylcarbamate;hydrochloride
CID 138400916
4-[[[4-(diethylamino)-2-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 18998141
[4-(dimethylamino)phenyl] N-methylcarbamate;iodomethane
CID 23618192
4-[[4-(dimethylamino)phenyl]-(2-methylanilino)methyl]-N,N-diethyl-3-methoxyaniline
CID 139644957
2-[bis[4-(dimethylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid;ethane
CID 143579320
4-[[4-(dimethylamino)phenyl]-phenylmethoxymethyl]-N,N-diethyl-3-methoxyaniline
CID 18998086
2-[bis[4-(propylamino)phenyl]methyl]-5-(dimethylamino)benzoic acid
CID 70188123
4-[bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 91746104
2-[bis[4-(dimethylamino)phenyl]methyl]-N-[2-[3-(diethylamino)phenoxy]ethyl]-5-ethylaniline
CID 139607706

Frequently Asked Questions

What is the IUPAC name of [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate?
The IUPAC name of [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate (CID 54257011) is [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate.
What is the SMILES notation for [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate?
The canonical SMILES for [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate is CCN(CC)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c(OC(=O)NC)c1.
What is the InChIKey of [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate?
The InChIKey is RATZCHDWKWZASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-8-33(9-2)25-18-19-26(27(20-25)35-29(34)30-3)28(21-10-14-23(15-11-21)31(4)5)22-12-16-24(17-13-22)32(6)7/h10-20,28H,8-9H2,1-7H3,(H,30,34).
What are the key properties of [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate?
[2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate has a molecular weight of 474.65 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis[4-(dimethylamino)phenyl]methyl]-5-(diethylamino)phenyl] N-methylcarbamate is sourced from PubChem (CID 54257011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).