4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride

C19H31ClN2O2 — CID 119344435

IUPAC4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)c2ccc(CN)cc2)C1(CC)CC.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-5-19(6-2)16(12-17(19)23-7-3)21(4)18(22)15-10-8-14(13-20)9-11-15;/h8-11,16-17H,5-7,12-13,20H2,1-4H3;1H
InChIKeyFUKIOKLAMSEFSS-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.62
Rot. Bonds7

About 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride

4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride (PubChem CID 119344435) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride
PubChem CID119344435
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride
SMILESCCOC1CC(N(C)C(=O)c2ccc(CN)cc2)C1(CC)CC.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-5-19(6-2)16(12-17(19)23-7-3)21(4)18(22)15-10-8-14(13-20)9-11-15;/h8-11,16-17H,5-7,12-13,20H2,1-4H3;1H
InChIKeyFUKIOKLAMSEFSS-UHFFFAOYSA-N
XLogP3.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride (CID 119344435) is 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride is CCOC1CC(N(C)C(=O)c2ccc(CN)cc2)C1(CC)CC.Cl.
What is the InChIKey of 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride?
The InChIKey is FUKIOKLAMSEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-5-19(6-2)16(12-17(19)23-7-3)21(4)18(22)15-10-8-14(13-20)9-11-15;/h8-11,16-17H,5-7,12-13,20H2,1-4H3;1H.
What are the key properties of 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride?
4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride is sourced from PubChem (CID 119344435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).