N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide

C22H29NO3 — CID 9404018

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)C)cc2C(C)C)cc1OC
InChIInChI=1S/C22H29NO3/c1-14(2)17-8-9-18(19(12-17)15(3)4)22(24)23-13-16-7-10-20(25-5)21(11-16)26-6/h7-12,14-15H,13H2,1-6H3,(H,23,24)
InChIKeyKEUGHRDUPFBYMF-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.88
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide

N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide (PubChem CID 9404018) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
PubChem CID9404018
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C(C)C)cc2C(C)C)cc1OC
InChIInChI=1S/C22H29NO3/c1-14(2)17-8-9-18(19(12-17)15(3)4)22(24)23-13-16-7-10-20(25-5)21(11-16)26-6/h7-12,14-15H,13H2,1-6H3,(H,23,24)
InChIKeyKEUGHRDUPFBYMF-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 42966353
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 9241150
N-[(3,4-diethoxyphenyl)methyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715734
N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769143
2-[[2,4-di(propan-2-yl)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 4797555
3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 34445344
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028841
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide (CID 9404018) is N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide is COc1ccc(CNC(=O)c2ccc(C(C)C)cc2C(C)C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide?
The InChIKey is KEUGHRDUPFBYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-14(2)17-8-9-18(19(12-17)15(3)4)22(24)23-13-16-7-10-20(25-5)21(11-16)26-6/h7-12,14-15H,13H2,1-6H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide?
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide has a molecular weight of 355.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide is sourced from PubChem (CID 9404018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).