3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide

C18H22N2O2 — CID 112980344

IUPAC3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCC(C)C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(2)12-19-15-7-9-16(10-8-15)20-18(21)14-5-4-6-17(11-14)22-3/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyPTYDYMUOAXNDGA-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.02
Rot. Bonds6

About 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide

3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide (PubChem CID 112980344) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
PubChem CID112980344
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCC(C)C)cc2)c1
InChIInChI=1S/C18H22N2O2/c1-13(2)12-19-15-7-9-16(10-8-15)20-18(21)14-5-4-6-17(11-14)22-3/h4-11,13,19H,12H2,1-3H3,(H,20,21)
InChIKeyPTYDYMUOAXNDGA-UHFFFAOYSA-N
XLogP4.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
3-fluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980338
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-(3-methoxyphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181325
3-methoxy-N-[4-(3-phenylpropylamino)phenyl]benzamide
CID 112984743
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide (CID 112980344) is 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(NCC(C)C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide?
The InChIKey is PTYDYMUOAXNDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13(2)12-19-15-7-9-16(10-8-15)20-18(21)14-5-4-6-17(11-14)22-3/h4-11,13,19H,12H2,1-3H3,(H,20,21).
What are the key properties of 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide?
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide has a molecular weight of 298.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide is sourced from PubChem (CID 112980344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).