N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide

C17H27NO3 — CID 110300926

IUPACN-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCCCCNC(=O)C(c1ccc(OC)c(OC)c1)C(C)C
InChIInChI=1S/C17H27NO3/c1-6-7-10-18-17(19)16(12(2)3)13-8-9-14(20-4)15(11-13)21-5/h8-9,11-12,16H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyPGKSWTGGKQJYCN-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.36
Rot. Bonds8

About N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide

N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide (PubChem CID 110300926) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
PubChem CID110300926
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCCCCNC(=O)C(c1ccc(OC)c(OC)c1)C(C)C
InChIInChI=1S/C17H27NO3/c1-6-7-10-18-17(19)16(12(2)3)13-8-9-14(20-4)15(11-13)21-5/h8-9,11-12,16H,6-7,10H2,1-5H3,(H,18,19)
InChIKeyPGKSWTGGKQJYCN-UHFFFAOYSA-N
XLogP3.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.36
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

2-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110300940
N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110307535
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300954
2-(3,4-dimethoxyphenyl)-3-methyl-N,N-dipropylbutanamide
CID 110300991
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
4-[1-(butylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
CID 43113701
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110301025
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide
CID 43574152
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide (CID 110300926) is N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide is CCCCNC(=O)C(c1ccc(OC)c(OC)c1)C(C)C.
What is the InChIKey of N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The InChIKey is PGKSWTGGKQJYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-7-10-18-17(19)16(12(2)3)13-8-9-14(20-4)15(11-13)21-5/h8-9,11-12,16H,6-7,10H2,1-5H3,(H,18,19).
What are the key properties of N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide has a molecular weight of 293.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 110300926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).