4-(cyclopropylmethoxy)-N-ethoxybenzamide

C13H17NO3 — CID 60572474

IUPAC4-(cyclopropylmethoxy)-N-ethoxybenzamide
SMILESCCONC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-14-13(15)11-5-7-12(8-6-11)16-9-10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,14,15)
InChIKeyWEORFOMUYDPLBJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.16
Rot. Bonds6

About 4-(cyclopropylmethoxy)-N-ethoxybenzamide

4-(cyclopropylmethoxy)-N-ethoxybenzamide (PubChem CID 60572474) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-ethoxybenzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-ethoxybenzamide
PubChem CID60572474
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(cyclopropylmethoxy)-N-ethoxybenzamide
SMILESCCONC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-14-13(15)11-5-7-12(8-6-11)16-9-10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,14,15)
InChIKeyWEORFOMUYDPLBJ-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
N-ethoxy-4-prop-2-enoxybenzamide
CID 60735511
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119223456
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-[[4-(cyclopropylmethoxy)benzoyl]amino]benzamide
CID 60571619
N-[1-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide
CID 119566289
4-(aminomethyl)-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 119325256
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
4-amino-N-ethoxybenzamide
CID 62058413
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-ethoxybenzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-ethoxybenzamide (CID 60572474) is 4-(cyclopropylmethoxy)-N-ethoxybenzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-ethoxybenzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-ethoxybenzamide is CCONC(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-ethoxybenzamide?
The InChIKey is WEORFOMUYDPLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-14-13(15)11-5-7-12(8-6-11)16-9-10-3-4-10/h5-8,10H,2-4,9H2,1H3,(H,14,15).
What are the key properties of 4-(cyclopropylmethoxy)-N-ethoxybenzamide?
4-(cyclopropylmethoxy)-N-ethoxybenzamide has a molecular weight of 235.28 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-ethoxybenzamide is sourced from PubChem (CID 60572474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).