4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide

C20H24N2O2 — CID 119439579

IUPAC4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-21-13-17-5-3-4-6-19(17)22-20(23)16-9-11-18(12-10-16)24-14-15-7-8-15/h3-6,9-12,15,21H,2,7-8,13-14H2,1H3,(H,22,23)
InChIKeyIFTZXLHNXRFHCR-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.84
Rot. Bonds8

About 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide

4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide (PubChem CID 119439579) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
PubChem CID119439579
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-2-21-13-17-5-3-4-6-19(17)22-20(23)16-9-11-18(12-10-16)24-14-15-7-8-15/h3-6,9-12,15,21H,2,7-8,13-14H2,1H3,(H,22,23)
InChIKeyIFTZXLHNXRFHCR-UHFFFAOYSA-N
XLogP3.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 119439770
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
1-N-(2,2-dimethylpropyl)-4-N-[2-(ethylaminomethyl)phenyl]benzene-1,4-dicarboxamide
CID 119440330
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440447
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
N-[2-(ethylaminomethyl)phenyl]-2-(3-methylcyclopentyl)acetamide
CID 119440088
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide (CID 119439579) is 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide is CCNCc1ccccc1NC(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide?
The InChIKey is IFTZXLHNXRFHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-21-13-17-5-3-4-6-19(17)22-20(23)16-9-11-18(12-10-16)24-14-15-7-8-15/h3-6,9-12,15,21H,2,7-8,13-14H2,1H3,(H,22,23).
What are the key properties of 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide?
4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[2-(ethylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 119439579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).