N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide

C19H23NO3 — CID 807482

IUPACN-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C19H23NO3/c1-14(2)20(13-15-8-6-5-7-9-15)19(21)16-10-11-17(22-3)18(12-16)23-4/h5-12,14H,13H2,1-4H3
InChIKeyUTEOZULAXCNXGM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.75
Rot. Bonds6

About N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide

N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide (PubChem CID 807482) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
PubChem CID807482
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C19H23NO3/c1-14(2)20(13-15-8-6-5-7-9-15)19(21)16-10-11-17(22-3)18(12-16)23-4/h5-12,14H,13H2,1-4H3
InChIKeyUTEOZULAXCNXGM-UHFFFAOYSA-N
XLogP3.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155
N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863
N-benzyl-4-ethoxy-3-nitro-N-propan-2-ylbenzamide
CID 30099872
N-benzyl-4-[5-(3-methanehydrazonoylphenoxy)pentoxy]-3-methoxy-N-propan-2-ylbenzamide
CID 67780051
N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
CID 108503366
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
methyl 2-[5-[benzyl(1-cyclopropylethyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55774668
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
1-benzyl-3-[2-(2-methoxyphenoxy)ethyl]-1-propan-2-ylurea
CID 112971419
N-benzyl-4-fluoro-N-propan-2-yl-3-sulfanylbenzamide
CID 107020657
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide (CID 807482) is N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1OC.
What is the InChIKey of N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide?
The InChIKey is UTEOZULAXCNXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)20(13-15-8-6-5-7-9-15)19(21)16-10-11-17(22-3)18(12-16)23-4/h5-12,14H,13H2,1-4H3.
What are the key properties of N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide?
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 807482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).