N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide

C19H31NO3 — CID 71107521

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide
SMILESCCCC(C)N(Cc1ccc(OC)c(OC)c1)C(=O)CC(C)C
InChIInChI=1S/C19H31NO3/c1-7-8-15(4)20(19(21)11-14(2)3)13-16-9-10-17(22-5)18(12-16)23-6/h9-10,12,14-15H,7-8,11,13H2,1-6H3
InChIKeyZCSMQOOMKVUHPK-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.27
Rot. Bonds9

About N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide (PubChem CID 71107521) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide
PubChem CID71107521
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide
SMILESCCCC(C)N(Cc1ccc(OC)c(OC)c1)C(=O)CC(C)C
InChIInChI=1S/C19H31NO3/c1-7-8-15(4)20(19(21)11-14(2)3)13-16-9-10-17(22-5)18(12-16)23-6/h9-10,12,14-15H,7-8,11,13H2,1-6H3
InChIKeyZCSMQOOMKVUHPK-UHFFFAOYSA-N
XLogP4.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 19826633
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 3360229
N-[(3,4-dimethoxyphenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837059
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
[5-[[butan-2-yl(hexanoyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate
CID 4259556
[5-[[[(2S)-butan-2-yl]-(3,3-dimethylbutanoyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 7262238
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methylbutanamide
CID 19629245
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 84752900
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide (CID 71107521) is N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide is CCCC(C)N(Cc1ccc(OC)c(OC)c1)C(=O)CC(C)C.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide?
The InChIKey is ZCSMQOOMKVUHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-7-8-15(4)20(19(21)11-14(2)3)13-16-9-10-17(22-5)18(12-16)23-6/h9-10,12,14-15H,7-8,11,13H2,1-6H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide has a molecular weight of 321.46 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-N-pentan-2-ylbutanamide is sourced from PubChem (CID 71107521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).