2-ethoxy-N-[2-(propylamino)ethyl]benzamide

C14H22N2O2 — CID 62658238

IUPAC2-ethoxy-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C14H22N2O2/c1-3-9-15-10-11-16-14(17)12-7-5-6-8-13(12)18-4-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyCKFACNFCNHWVPO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds8

About 2-ethoxy-N-[2-(propylamino)ethyl]benzamide

2-ethoxy-N-[2-(propylamino)ethyl]benzamide (PubChem CID 62658238) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(propylamino)ethyl]benzamide
PubChem CID62658238
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-ethoxy-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccccc1OCC
InChIInChI=1S/C14H22N2O2/c1-3-9-15-10-11-16-14(17)12-7-5-6-8-13(12)18-4-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyCKFACNFCNHWVPO-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
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-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
3-[(2-ethoxybenzoyl)amino]propanoic acid
CID 665917
2-propoxy-N-propylbenzamide
CID 58831728
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 46461439
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
2-ethoxy-N-pent-4-ynylbenzamide
CID 103709030

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(propylamino)ethyl]benzamide (CID 62658238) is 2-ethoxy-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1ccccc1OCC.
What is the InChIKey of 2-ethoxy-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is CKFACNFCNHWVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9-15-10-11-16-14(17)12-7-5-6-8-13(12)18-4-2/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-N-[2-(propylamino)ethyl]benzamide?
2-ethoxy-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 62658238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).