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

C28H34N2O3 — CID 18672590

IUPACN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C28H34N2O3/c1-20(2)30(21(3)4)17-18-33-26-16-15-25(19-27(26)32-5)29-28(31)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-16,19-21H,17-18H2,1-5H3,(H,29,31)
InChIKeyRZJWWQSGWHXWAK-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.11
Rot. Bonds10

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

N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide (PubChem CID 18672590) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide
PubChem CID18672590
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C
InChIInChI=1S/C28H34N2O3/c1-20(2)30(21(3)4)17-18-33-26-16-15-25(19-27(26)32-5)29-28(31)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-16,19-21H,17-18H2,1-5H3,(H,29,31)
InChIKeyRZJWWQSGWHXWAK-UHFFFAOYSA-N
XLogP6.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amg-9810
CID 680502
1-[3-(4-Acetyl-3-methoxyphenyl)-4,5-dimethoxyphenyl]-3-[4-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 73055004
4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-(2-hydroxyphenyl)benzamide
CID 10110195
SB-568849
CID 10300618
N-(2-aminophenyl)-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 15984110
N-(2-amino-5-phenylphenyl)-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 23648261
N-[2-amino-5-(furan-3-yl)phenyl]-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 23648263
N-[3-[[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]phenyl]benzamide
CID 137553159
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
4-(3-fluorophenyl)-1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-2H-pyrrol-5-one
CID 24887290
1-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-(4-methylphenyl)-2H-pyrrol-5-one
CID 24888184
N-{2-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-2,6-dimethyl-piperazin-1-yl]-ethyl}-4-fluoro-benzamide
CID 44336170

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide (CID 18672590) is N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide is COc1cc(NC(=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]-4-phenylbenzamide?
The InChIKey is RZJWWQSGWHXWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-20(2)30(21(3)4)17-18-33-26-16-15-25(19-27(26)32-5)29-28(31)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-16,19-21H,17-18H2,1-5H3,(H,29,31).
What are the key properties of N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide?
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide has a molecular weight of 446.59 g/mol, XLogP of 6.11, 10 rotatable bonds, 1 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]-4-phenylbenzamide is sourced from PubChem (CID 18672590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).