4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride

C16H24ClN3O3 — CID 120922928

IUPAC4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)C2(CN)CCOCC2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-2-18-14(20)12-3-5-13(6-4-12)19-15(21)16(11-17)7-9-22-10-8-16;/h3-6H,2,7-11,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyNICATNVWDQBJSW-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.55
Rot. Bonds5

About 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120922928) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
PubChem CID120922928
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)C2(CN)CCOCC2)cc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-2-18-14(20)12-3-5-13(6-4-12)19-15(21)16(11-17)7-9-22-10-8-16;/h3-6H,2,7-11,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyNICATNVWDQBJSW-UHFFFAOYSA-N
XLogP1.55
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
4-(aminomethyl)-N-[4-(prop-2-enylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926631
4-(aminomethyl)-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120917251
4-(aminomethyl)-N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120923512
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
CID 120941701
4-(aminomethyl)-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]oxane-4-carboxamide
CID 120922745
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-prop-2-enylbenzamide;hydrochloride
CID 119740942
4-(aminomethyl)-N-thiophen-3-yloxane-4-carboxamide;hydrochloride
CID 120933240

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride (CID 120922928) is 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride is CCNC(=O)c1ccc(NC(=O)C2(CN)CCOCC2)cc1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is NICATNVWDQBJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-2-18-14(20)12-3-5-13(6-4-12)19-15(21)16(11-17)7-9-22-10-8-16;/h3-6H,2,7-11,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120922928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).