N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide

C22H29NO3 — CID 55365562

IUPACN-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCc1cccc(OC)c1OC
InChIInChI=1S/C22H29NO3/c1-5-17(2)23(16-18-10-7-6-8-11-18)21(24)15-14-19-12-9-13-20(25-3)22(19)26-4/h6-13,17H,5,14-16H2,1-4H3
InChIKeyWGTPXFWJIPBWIV-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.46
Rot. Bonds9

About N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide

N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide (PubChem CID 55365562) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide
PubChem CID55365562
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)CCc1cccc(OC)c1OC
InChIInChI=1S/C22H29NO3/c1-5-17(2)23(16-18-10-7-6-8-11-18)21(24)15-14-19-12-9-13-20(25-3)22(19)26-4/h6-13,17H,5,14-16H2,1-4H3
InChIKeyWGTPXFWJIPBWIV-UHFFFAOYSA-N
XLogP4.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-benzyl-N-butan-2-ylpentanamide
CID 78842113
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
2-amino-N-benzyl-N-[1-(2-methoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119309200
N,N-dibenzyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789556
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-butan-2-yl-5-(4-methoxyphenyl)-5-oxopentanamide
CID 56536444
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368948
N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
CID 52501698
N-benzyl-N-butan-2-yl-3-(tert-butylamino)propanamide
CID 60937133
2-[(4-chlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 133149508
2-[(3-methoxyphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylpropanamide
CID 132669603

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide?
The IUPAC name of N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide (CID 55365562) is N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide is CCC(C)N(Cc1ccccc1)C(=O)CCc1cccc(OC)c1OC.
What is the InChIKey of N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide?
The InChIKey is WGTPXFWJIPBWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-17(2)23(16-18-10-7-6-8-11-18)21(24)15-14-19-12-9-13-20(25-3)22(19)26-4/h6-13,17H,5,14-16H2,1-4H3.
What are the key properties of N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide?
N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-3-(2,3-dimethoxyphenyl)propanamide is sourced from PubChem (CID 55365562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).