N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide

C29H26N2O3 — CID 54781723

IUPACN-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
SMILESCc1cc(NC(=O)c2cccc(OCCc3ccccc3)c2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C29H26N2O3/c1-21-19-25(15-16-27(21)31-28(32)23-11-6-3-7-12-23)30-29(33)24-13-8-14-26(20-24)34-18-17-22-9-4-2-5-10-22/h2-16,19-20H,17-18H2,1H3,(H,30,33)(H,31,32)
InChIKeyUFZHXWORJIODJI-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.12
Rot. Bonds8

About N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide

N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide (PubChem CID 54781723) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
PubChem CID54781723
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide
SMILESCc1cc(NC(=O)c2cccc(OCCc3ccccc3)c2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C29H26N2O3/c1-21-19-25(15-16-27(21)31-28(32)23-11-6-3-7-12-23)30-29(33)24-13-8-14-26(20-24)34-18-17-22-9-4-2-5-10-22/h2-16,19-20H,17-18H2,1H3,(H,30,33)(H,31,32)
InChIKeyUFZHXWORJIODJI-UHFFFAOYSA-N
XLogP6.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-3-(2-phenylethoxy)benzamide
CID 17232036
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
N-[2-methyl-4-[(3-propoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 21213342
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273
3-[[3-(2-phenylethoxy)benzoyl]amino]-N,N-dipropylbenzamide
CID 26162531

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide?
The IUPAC name of N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide (CID 54781723) is N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide is Cc1cc(NC(=O)c2cccc(OCCc3ccccc3)c2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide?
The InChIKey is UFZHXWORJIODJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-21-19-25(15-16-27(21)31-28(32)23-11-6-3-7-12-23)30-29(33)24-13-8-14-26(20-24)34-18-17-22-9-4-2-5-10-22/h2-16,19-20H,17-18H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide?
N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide has a molecular weight of 450.54 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-3-methylphenyl)-3-(2-phenylethoxy)benzamide is sourced from PubChem (CID 54781723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).