N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide

C14H20N2O4 — CID 9295314

IUPACN-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(N)=O)cc1OC
InChIInChI=1S/C14H20N2O4/c1-3-4-7-20-11-6-5-10(8-12(11)19-2)14(18)16-9-13(15)17/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeySIVSTJYMKHHQAZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.09
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide

N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide (PubChem CID 9295314) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
PubChem CID9295314
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(N)=O)cc1OC
InChIInChI=1S/C14H20N2O4/c1-3-4-7-20-11-6-5-10(8-12(11)19-2)14(18)16-9-13(15)17/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeySIVSTJYMKHHQAZ-UHFFFAOYSA-N
XLogP1.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
4-butoxy-3-methoxybenzamide
CID 47102628
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
4-butoxy-3-methoxy-N-[(2S)-2-phenylpropyl]benzamide
CID 9302117
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955
N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061491

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide (CID 9295314) is N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCC(N)=O)cc1OC.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide?
The InChIKey is SIVSTJYMKHHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-4-7-20-11-6-5-10(8-12(11)19-2)14(18)16-9-13(15)17/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide?
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide has a molecular weight of 280.32 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide is sourced from PubChem (CID 9295314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).