N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide

C29H36N2O4 — CID 18672554

IUPACN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)Nc3ccc(OC)c(OCCN(C(C)C)C(C)C)c3)cc2)c1
InChIInChI=1S/C29H36N2O4/c1-20(2)31(21(3)4)16-17-35-28-19-25(14-15-27(28)34-6)30-29(32)23-12-10-22(11-13-23)24-8-7-9-26(18-24)33-5/h7-15,18-21H,16-17H2,1-6H3,(H,30,32)
InChIKeyUJMZSDIMUQXSBI-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.12
Rot. Bonds11

About N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide (PubChem CID 18672554) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
PubChem CID18672554
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC NameN-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2ccc(C(=O)Nc3ccc(OC)c(OCCN(C(C)C)C(C)C)c3)cc2)c1
InChIInChI=1S/C29H36N2O4/c1-20(2)31(21(3)4)16-17-35-28-19-25(14-15-27(28)34-6)30-29(32)23-12-10-22(11-13-23)24-8-7-9-26(18-24)33-5/h7-15,18-21H,16-17H2,1-6H3,(H,30,32)
InChIKeyUJMZSDIMUQXSBI-UHFFFAOYSA-N
XLogP6.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-hydroxyphenyl)benzamide
CID 18672596
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
CID 22459286
2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006320
N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(3-nitrophenyl)benzamide
CID 18672595
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
CID 142006317
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-2-formyl-5-methoxyphenyl]-4-phenylbenzamide
CID 86591615
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6,7-dimethoxy-2H-chromene-3-carboxamide
CID 139932885
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
CID 10139496
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(furan-2-yl)acetamide
CID 139919411
N-(3,4-dimethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 54781369
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 54439942

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide (CID 18672554) is N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide is COc1cccc(-c2ccc(C(=O)Nc3ccc(OC)c(OCCN(C(C)C)C(C)C)c3)cc2)c1.
What is the InChIKey of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide?
The InChIKey is UJMZSDIMUQXSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-20(2)31(21(3)4)16-17-35-28-19-25(14-15-27(28)34-6)30-29(32)23-12-10-22(11-13-23)24-8-7-9-26(18-24)33-5/h7-15,18-21H,16-17H2,1-6H3,(H,30,32).
What are the key properties of N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide?
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide has a molecular weight of 476.62 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-4-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 18672554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).