4-amino-N-ethyl-3-pentoxybenzamide

C14H22N2O2 — CID 63358644

IUPAC4-amino-N-ethyl-3-pentoxybenzamide
SMILESCCCCCOc1cc(C(=O)NCC)ccc1N
InChIInChI=1S/C14H22N2O2/c1-3-5-6-9-18-13-10-11(7-8-12(13)15)14(17)16-4-2/h7-8,10H,3-6,9,15H2,1-2H3,(H,16,17)
InChIKeyWLDRPRRGRQAAGI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds7

About 4-amino-N-ethyl-3-pentoxybenzamide

4-amino-N-ethyl-3-pentoxybenzamide (PubChem CID 63358644) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-pentoxybenzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-pentoxybenzamide
PubChem CID63358644
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-ethyl-3-pentoxybenzamide
SMILESCCCCCOc1cc(C(=O)NCC)ccc1N
InChIInChI=1S/C14H22N2O2/c1-3-5-6-9-18-13-10-11(7-8-12(13)15)14(17)16-4-2/h7-8,10H,3-6,9,15H2,1-2H3,(H,16,17)
InChIKeyWLDRPRRGRQAAGI-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941798
methyl 4-amino-3-octoxybenzoate
CID 15434652
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
methyl 4-amino-3-nonoxybenzoate
CID 43380216
4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
4-amino-3-methoxy-N-propylbenzamide
CID 67095444
2-dodecoxy-1-N,4-N-dioctylbenzene-1,4-dicarboxamide
CID 101292977

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-pentoxybenzamide?
The IUPAC name of 4-amino-N-ethyl-3-pentoxybenzamide (CID 63358644) is 4-amino-N-ethyl-3-pentoxybenzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-pentoxybenzamide?
The canonical SMILES for 4-amino-N-ethyl-3-pentoxybenzamide is CCCCCOc1cc(C(=O)NCC)ccc1N.
What is the InChIKey of 4-amino-N-ethyl-3-pentoxybenzamide?
The InChIKey is WLDRPRRGRQAAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-5-6-9-18-13-10-11(7-8-12(13)15)14(17)16-4-2/h7-8,10H,3-6,9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-ethyl-3-pentoxybenzamide?
4-amino-N-ethyl-3-pentoxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-pentoxybenzamide is sourced from PubChem (CID 63358644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).