N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide

C14H20N2O5 — CID 5235271

IUPACN-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCC(N)=O)cc(OC)c1OC
InChIInChI=1S/C14H20N2O5/c1-19-10-7-9(8-11(20-2)13(10)21-3)14(18)16-6-4-5-12(15)17/h7-8H,4-6H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyZTUYPSUVNBRRMK-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.71
Rot. Bonds8

About N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide

N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide (PubChem CID 5235271) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
PubChem CID5235271
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCCCC(N)=O)cc(OC)c1OC
InChIInChI=1S/C14H20N2O5/c1-19-10-7-9(8-11(20-2)13(10)21-3)14(18)16-6-4-5-12(15)17/h7-8H,4-6H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyZTUYPSUVNBRRMK-UHFFFAOYSA-N
XLogP0.71
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
propan-2-yl 4-[(3,4,5-trimethoxybenzoyl)amino]butanoate
CID 3092235
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
N-(3-amino-3-hydroxyiminopropyl)-3,4,5-trimethoxybenzamide
CID 76952749
dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
CID 2315963
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338
3-amino-N-(4-amino-4-oxobutyl)-4-methoxybenzamide
CID 60864435
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide (CID 5235271) is N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCCCC(N)=O)cc(OC)c1OC.
What is the InChIKey of N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide?
The InChIKey is ZTUYPSUVNBRRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-19-10-7-9(8-11(20-2)13(10)21-3)14(18)16-6-4-5-12(15)17/h7-8H,4-6H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide?
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide has a molecular weight of 296.32 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 5235271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).