N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide

C23H31NO4 — CID 54776757

IUPACN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c1
InChIInChI=1S/C23H31NO4/c1-5-12-27-20-8-6-7-19(15-20)23(25)24-16-18-9-10-21(22(14-18)26-4)28-13-11-17(2)3/h6-10,14-15,17H,5,11-13,16H2,1-4H3,(H,24,25)
InChIKeyKMEDRSARRNWXEC-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.84
Rot. Bonds11

About N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide

N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide (PubChem CID 54776757) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
PubChem CID54776757
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC NameN-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c1
InChIInChI=1S/C23H31NO4/c1-5-12-27-20-8-6-7-19(15-20)23(25)24-16-18-9-10-21(22(14-18)26-4)28-13-11-17(2)3/h6-10,14-15,17H,5,11-13,16H2,1-4H3,(H,24,25)
InChIKeyKMEDRSARRNWXEC-UHFFFAOYSA-N
XLogP4.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methylcarbamothioyl]-3-(3-methylbutoxy)benzamide
CID 54777242
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylcarbamothioyl]-3-propan-2-yloxybenzamide
CID 54776885
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
N-[1-[(3-methoxy-4-propoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46425068
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide?
The IUPAC name of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide (CID 54776757) is N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide.
What is the SMILES notation for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide?
The canonical SMILES for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCc2ccc(OCCC(C)C)c(OC)c2)c1.
What is the InChIKey of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide?
The InChIKey is KMEDRSARRNWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-5-12-27-20-8-6-7-19(15-20)23(25)24-16-18-9-10-21(22(14-18)26-4)28-13-11-17(2)3/h6-10,14-15,17H,5,11-13,16H2,1-4H3,(H,24,25).
What are the key properties of N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide?
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide has a molecular weight of 385.50 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-propoxybenzamide is sourced from PubChem (CID 54776757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).