N-butyl-4,5-dimethoxy-2-methylbenzamide

C14H21NO3 — CID 110763563

IUPACN-butyl-4,5-dimethoxy-2-methylbenzamide
SMILESCCCCNC(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H21NO3/c1-5-6-7-15-14(16)11-9-13(18-4)12(17-3)8-10(11)2/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyMOJUNRKWIBLXEO-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.54
Rot. Bonds6

About N-butyl-4,5-dimethoxy-2-methylbenzamide

N-butyl-4,5-dimethoxy-2-methylbenzamide (PubChem CID 110763563) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-butyl-4,5-dimethoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4,5-dimethoxy-2-methylbenzamide
PubChem CID110763563
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-butyl-4,5-dimethoxy-2-methylbenzamide
SMILESCCCCNC(=O)c1cc(OC)c(OC)cc1C
InChIInChI=1S/C14H21NO3/c1-5-6-7-15-14(16)11-9-13(18-4)12(17-3)8-10(11)2/h8-9H,5-7H2,1-4H3,(H,15,16)
InChIKeyMOJUNRKWIBLXEO-UHFFFAOYSA-N
XLogP2.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(4,5-dimethoxy-2-methylbenzoyl)amino]butanoic acid
CID 98023407
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
2,5-dimethoxy-N-(3-methoxypropyl)-4-methylbenzamide
CID 110763222
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149679
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879
(2S)-2-[(4,5-dimethoxy-2-methylbenzoyl)amino]hexanoic acid
CID 120614513
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
2-amino-N-butyl-3,5-dimethoxybenzamide
CID 112606080
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
N-butyl-3,4,5-trimethoxy-2-nitrobenzamide
CID 36711009
N-butyl-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763643

Frequently Asked Questions

What is the IUPAC name of N-butyl-4,5-dimethoxy-2-methylbenzamide?
The IUPAC name of N-butyl-4,5-dimethoxy-2-methylbenzamide (CID 110763563) is N-butyl-4,5-dimethoxy-2-methylbenzamide.
What is the SMILES notation for N-butyl-4,5-dimethoxy-2-methylbenzamide?
The canonical SMILES for N-butyl-4,5-dimethoxy-2-methylbenzamide is CCCCNC(=O)c1cc(OC)c(OC)cc1C.
What is the InChIKey of N-butyl-4,5-dimethoxy-2-methylbenzamide?
The InChIKey is MOJUNRKWIBLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-6-7-15-14(16)11-9-13(18-4)12(17-3)8-10(11)2/h8-9H,5-7H2,1-4H3,(H,15,16).
What are the key properties of N-butyl-4,5-dimethoxy-2-methylbenzamide?
N-butyl-4,5-dimethoxy-2-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,5-dimethoxy-2-methylbenzamide is sourced from PubChem (CID 110763563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).