N-butan-2-yl-2,4,6-trimethoxybenzamide

C14H21NO4 — CID 110764612

IUPACN-butan-2-yl-2,4,6-trimethoxybenzamide
SMILESCCC(C)NC(=O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO4/c1-6-9(2)15-14(16)13-11(18-4)7-10(17-3)8-12(13)19-5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyHCXCSGPDNVOUKB-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.24
Rot. Bonds6

About N-butan-2-yl-2,4,6-trimethoxybenzamide

N-butan-2-yl-2,4,6-trimethoxybenzamide (PubChem CID 110764612) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-butan-2-yl-2,4,6-trimethoxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2,4,6-trimethoxybenzamide
PubChem CID110764612
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-butan-2-yl-2,4,6-trimethoxybenzamide
SMILESCCC(C)NC(=O)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21NO4/c1-6-9(2)15-14(16)13-11(18-4)7-10(17-3)8-12(13)19-5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyHCXCSGPDNVOUKB-UHFFFAOYSA-N
XLogP2.24
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
2,4,6-trimethoxy-N-(2-methoxyethyl)benzamide
CID 110764617
3-bromo-N-butan-2-yl-2,5-dimethoxybenzamide
CID 24638571
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-butan-2-yl-2-(3,5-dimethoxyphenoxy)acetamide
CID 78530824
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
CID 1362819
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,4,6-trimethoxybenzamide?
The IUPAC name of N-butan-2-yl-2,4,6-trimethoxybenzamide (CID 110764612) is N-butan-2-yl-2,4,6-trimethoxybenzamide.
What is the SMILES notation for N-butan-2-yl-2,4,6-trimethoxybenzamide?
The canonical SMILES for N-butan-2-yl-2,4,6-trimethoxybenzamide is CCC(C)NC(=O)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of N-butan-2-yl-2,4,6-trimethoxybenzamide?
The InChIKey is HCXCSGPDNVOUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-6-9(2)15-14(16)13-11(18-4)7-10(17-3)8-12(13)19-5/h7-9H,6H2,1-5H3,(H,15,16).
What are the key properties of N-butan-2-yl-2,4,6-trimethoxybenzamide?
N-butan-2-yl-2,4,6-trimethoxybenzamide has a molecular weight of 267.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,4,6-trimethoxybenzamide is sourced from PubChem (CID 110764612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).