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

C29H36N2O3 — CID 10139496

IUPACN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
SMILESCOc1cc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)18-19-34-27-17-16-26(20-28(27)33-6)30(5)29(32)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-17,20-22H,18-19H2,1-6H3
InChIKeyKJTVODBASOXOHW-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.14
Rot. Bonds10

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

N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide (PubChem CID 10139496) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
PubChem CID10139496
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
SMILESCOc1cc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)18-19-34-27-17-16-26(20-28(27)33-6)30(5)29(32)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-17,20-22H,18-19H2,1-6H3
InChIKeyKJTVODBASOXOHW-UHFFFAOYSA-N
XLogP6.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide
CID 10277257
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]-4-(3-methoxyphenyl)benzamide
CID 18672554
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
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109
3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
CID 78783998
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
3-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]prop-2-enamide
CID 68883280
4-[(4-methoxyphenoxy)methyl]-N-methyl-N-phenylbenzamide
CID 122195803
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide?
The IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide (CID 10139496) is N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide.
What is the SMILES notation for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide?
The canonical SMILES for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide is COc1cc(N(C)C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C.
What is the InChIKey of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide?
The InChIKey is KJTVODBASOXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-21(2)31(22(3)4)18-19-34-27-17-16-26(20-28(27)33-6)30(5)29(32)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-17,20-22H,18-19H2,1-6H3.
What are the key properties of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide?
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide has a molecular weight of 460.62 g/mol, XLogP of 6.14, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 10139496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).