4-(ethylamino)-N-(3-methoxypropyl)benzamide

C13H20N2O2 — CID 62167523

IUPAC4-(ethylamino)-N-(3-methoxypropyl)benzamide
SMILESCCNc1ccc(C(=O)NCCCOC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-14-12-7-5-11(6-8-12)13(16)15-9-4-10-17-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyJTTQAWBUVUHMPM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.88
Rot. Bonds7

About 4-(ethylamino)-N-(3-methoxypropyl)benzamide

4-(ethylamino)-N-(3-methoxypropyl)benzamide (PubChem CID 62167523) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-methoxypropyl)benzamide
PubChem CID62167523
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(ethylamino)-N-(3-methoxypropyl)benzamide
SMILESCCNc1ccc(C(=O)NCCCOC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-14-12-7-5-11(6-8-12)13(16)15-9-4-10-17-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyJTTQAWBUVUHMPM-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.88
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

4-(ethylamino)-N-(4-methoxybutyl)benzamide
CID 62175950
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
4-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835601
N-(3-methoxypropyl)-4-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54836484
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-(3-methoxypropyl)-4-[[2-(N-methylanilino)-2-oxoethyl]amino]benzamide
CID 54835535
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 4-(ethylamino)-N-(3-methoxypropyl)benzamide (CID 62167523) is 4-(ethylamino)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 4-(ethylamino)-N-(3-methoxypropyl)benzamide is CCNc1ccc(C(=O)NCCCOC)cc1.
What is the InChIKey of 4-(ethylamino)-N-(3-methoxypropyl)benzamide?
The InChIKey is JTTQAWBUVUHMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-14-12-7-5-11(6-8-12)13(16)15-9-4-10-17-2/h5-8,14H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylamino)-N-(3-methoxypropyl)benzamide?
4-(ethylamino)-N-(3-methoxypropyl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 62167523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).