2-(2-amino-2-oxoethoxy)-N-butylbenzamide

C13H18N2O3 — CID 36711020

IUPAC2-(2-amino-2-oxoethoxy)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C13H18N2O3/c1-2-3-8-15-13(17)10-6-4-5-7-11(10)18-9-12(14)16/h4-7H,2-3,8-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyYKVLDQLRZLTWNB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.08
Rot. Bonds7

About 2-(2-amino-2-oxoethoxy)-N-butylbenzamide

2-(2-amino-2-oxoethoxy)-N-butylbenzamide (PubChem CID 36711020) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-butylbenzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-butylbenzamide
PubChem CID36711020
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2-amino-2-oxoethoxy)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C13H18N2O3/c1-2-3-8-15-13(17)10-6-4-5-7-11(10)18-9-12(14)16/h4-7H,2-3,8-9H2,1H3,(H2,14,16)(H,15,17)
InChIKeyYKVLDQLRZLTWNB-UHFFFAOYSA-N
XLogP1.08
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-[2-(dimethylamino)-2-oxoethoxy]-N-pentylbenzamide
CID 32976806
2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide
CID 134017885
N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-methoxy-N-tridecylbenzamide
CID 139819873
2-(2-amino-2-oxoethoxy)-N-(2-thiophen-2-ylethyl)benzamide
CID 134031335
2-propoxy-N-propylbenzamide
CID 58831728
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-(2-amino-2-oxoethoxy)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 119125763
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
N-(3-aminopropyl)-2-(2-ethoxyphenoxy)benzamide;hydrochloride
CID 119407971

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-butylbenzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-butylbenzamide (CID 36711020) is 2-(2-amino-2-oxoethoxy)-N-butylbenzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-butylbenzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-butylbenzamide is CCCCNC(=O)c1ccccc1OCC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-butylbenzamide?
The InChIKey is YKVLDQLRZLTWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-3-8-15-13(17)10-6-4-5-7-11(10)18-9-12(14)16/h4-7H,2-3,8-9H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-butylbenzamide?
2-(2-amino-2-oxoethoxy)-N-butylbenzamide has a molecular weight of 250.30 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-butylbenzamide is sourced from PubChem (CID 36711020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).