N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide

C18H29NO2 — CID 18736088

IUPACN-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
SMILESCCCCN(CCC(C)(C)C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-6-7-13-19(14-12-18(2,3)4)17(20)15-8-10-16(21-5)11-9-15/h8-11H,6-7,12-14H2,1-5H3
InChIKeyPDHRTFYSNPXPJO-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.37
Rot. Bonds7

About N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide

N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide (PubChem CID 18736088) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
PubChem CID18736088
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide
SMILESCCCCN(CCC(C)(C)C)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H29NO2/c1-6-7-13-19(14-12-18(2,3)4)17(20)15-8-10-16(21-5)11-9-15/h8-11H,6-7,12-14H2,1-5H3
InChIKeyPDHRTFYSNPXPJO-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-(3-aminopropyl)-4-methoxy-N-propylbenzamide
CID 43136604
N,N-dibutyl-3,5-dimethoxybenzamide
CID 4198508
2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 19879504
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N-(3-amino-2,2-dimethylpropyl)-4-methoxy-N-propylbenzamide
CID 79667923
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
4-amino-N-butyl-N-propylbenzamide
CID 127119640
4-N,4-N-dibutyl-1-N-hydroxybenzene-1,4-dicarboxamide
CID 11185445
N,4-dibutyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3604916

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide?
The IUPAC name of N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide (CID 18736088) is N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide.
What is the SMILES notation for N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide?
The canonical SMILES for N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide is CCCCN(CCC(C)(C)C)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide?
The InChIKey is PDHRTFYSNPXPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-6-7-13-19(14-12-18(2,3)4)17(20)15-8-10-16(21-5)11-9-15/h8-11H,6-7,12-14H2,1-5H3.
What are the key properties of N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide?
N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide has a molecular weight of 291.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,3-dimethylbutyl)-4-methoxybenzamide is sourced from PubChem (CID 18736088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).