N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide

C21H27NO3 — CID 110440877

IUPACN-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)14-25-19-10-6-16(7-11-19)20(23)22-21(3,4)17-8-12-18(24-5)13-9-17/h6-13,15H,14H2,1-5H3,(H,22,23)
InChIKeyRLTVTUKZZPCWLU-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.40
Rot. Bonds7

About N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide

N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide (PubChem CID 110440877) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
PubChem CID110440877
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)14-25-19-10-6-16(7-11-19)20(23)22-21(3,4)17-8-12-18(24-5)13-9-17/h6-13,15H,14H2,1-5H3,(H,22,23)
InChIKeyRLTVTUKZZPCWLU-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
2-(methylamino)-N-[2-[4-(2-methylpropoxy)phenyl]propan-2-yl]acetamide;hydrochloride
CID 119779272
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
N-[(2S)-1-amino-2,3-dimethyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7057020
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937627
4-(2-methylpropoxy)-N-[3-[[4-(2-methylpropoxy)benzoyl]amino]propyl]benzamide
CID 4938333
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide (CID 110440877) is N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide is COc1ccc(C(C)(C)NC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide?
The InChIKey is RLTVTUKZZPCWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(2)14-25-19-10-6-16(7-11-19)20(23)22-21(3,4)17-8-12-18(24-5)13-9-17/h6-13,15H,14H2,1-5H3,(H,22,23).
What are the key properties of N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide?
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide has a molecular weight of 341.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 110440877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).