methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate

C27H30N2O5 — CID 18980122

IUPACmethyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(OC)c(OCCN(C)C)c2)c(C)c1
InChIInChI=1S/C27H30N2O5/c1-18-16-19(27(31)33-5)10-12-21(18)22-8-6-7-9-23(22)26(30)28-20-11-13-24(32-4)25(17-20)34-15-14-29(2)3/h6-13,16-17H,14-15H2,1-5H3,(H,28,30)
InChIKeyCVGYMFKCRKNEHX-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.65
Rot. Bonds9

About methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate

methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate (PubChem CID 18980122) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate
PubChem CID18980122
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Namemethyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate
SMILESCOC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(OC)c(OCCN(C)C)c2)c(C)c1
InChIInChI=1S/C27H30N2O5/c1-18-16-19(27(31)33-5)10-12-21(18)22-8-6-7-9-23(22)26(30)28-20-11-13-24(32-4)25(17-20)34-15-14-29(2)3/h6-13,16-17H,14-15H2,1-5H3,(H,28,30)
InChIKeyCVGYMFKCRKNEHX-UHFFFAOYSA-N
XLogP4.65
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate 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

N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-methylphenyl]benzamide
CID 23204979
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-hydroxynaphthalene-2-carboxamide
CID 166219863
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(4-phenylphenyl)acetamide
CID 139912017
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
CID 18672595
3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006317
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[3-[2-[cyclohexyl(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-phenylbenzamide
CID 18672530
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]acetamide
CID 139725586
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-2-(5-methyl-2-phenyltriazol-4-yl)acetamide
CID 139919354
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate?
The IUPAC name of methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate (CID 18980122) is methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate?
The canonical SMILES for methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate is COC(=O)c1ccc(-c2ccccc2C(=O)Nc2ccc(OC)c(OCCN(C)C)c2)c(C)c1.
What is the InChIKey of methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate?
The InChIKey is CVGYMFKCRKNEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-18-16-19(27(31)33-5)10-12-21(18)22-8-6-7-9-23(22)26(30)28-20-11-13-24(32-4)25(17-20)34-15-14-29(2)3/h6-13,16-17H,14-15H2,1-5H3,(H,28,30).
What are the key properties of methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate?
methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate has a molecular weight of 462.55 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]carbamoyl]phenyl]-3-methylbenzoate is sourced from PubChem (CID 18980122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).