N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide

C22H29NO4 — CID 3694711

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(CC(C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H29NO4/c1-16(13-17-5-8-19(25-2)9-6-17)14-22(24)23-12-11-18-7-10-20(26-3)21(15-18)27-4/h5-10,15-16H,11-14H2,1-4H3,(H,23,24)
InChIKeySGVJIEYGXTVPAY-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.64
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide (PubChem CID 3694711) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide
PubChem CID3694711
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(CC(C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H29NO4/c1-16(13-17-5-8-19(25-2)9-6-17)14-22(24)23-12-11-18-7-10-20(26-3)21(15-18)27-4/h5-10,15-16H,11-14H2,1-4H3,(H,23,24)
InChIKeySGVJIEYGXTVPAY-UHFFFAOYSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Capsaicin
CID 1548943
Rolipram
CID 5092
Zucapsaicin
CID 1548942
Olvanil
CID 5311093
Dihydrocapsaicin
CID 107982
Nonivamide
CID 2998
Norverapamil
CID 104972
Nordihydrocapsaicin
CID 168836
Feruloyltyramine
CID 5280537
Zatebradine
CID 65637
(3S,5S)-5-(3-(Cyclopentyloxy)-4-methoxyphenyl)-3-((3-methylphenyl)methyl)-2-piperidinone
CID 9865375
Rubemamine
CID 1042026

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide (CID 3694711) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide is COc1ccc(CC(C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide?
The InChIKey is SGVJIEYGXTVPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-16(13-17-5-8-19(25-2)9-6-17)14-22(24)23-12-11-18-7-10-20(26-3)21(15-18)27-4/h5-10,15-16H,11-14H2,1-4H3,(H,23,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide has a molecular weight of 371.48 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 3694711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).