4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C21H27NO3 — CID 43911075

IUPAC4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)14-24-19-11-7-18(8-12-19)21(23)22-13-17-5-9-20(10-6-17)25-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
InChIKeyFCMFCOWEQZGNCP-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.44
Rot. Bonds8

About 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 43911075) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID43911075
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCC(C)COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)14-24-19-11-7-18(8-12-19)21(23)22-13-17-5-9-20(10-6-17)25-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
InChIKeyFCMFCOWEQZGNCP-UHFFFAOYSA-N
XLogP4.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086
4-fluoro-N-[2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55947281
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 43911075) is 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CC(C)COc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is FCMFCOWEQZGNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(2)14-24-19-11-7-18(8-12-19)21(23)22-13-17-5-9-20(10-6-17)25-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23).
What are the key properties of 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 341.45 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 43911075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).