4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride

C14H19Cl2N3O3 — CID 120922590

IUPAC4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCOCC1
InChIInChI=1S/C14H18ClN3O3.ClH/c15-11-2-1-9(7-10(11)12(17)19)18-13(20)14(8-16)3-5-21-6-4-14;/h1-2,7H,3-6,8,16H2,(H2,17,19)(H,18,20);1H
InChIKeyLXAOGULPCCKHFC-UHFFFAOYSA-N
MW348.23 g/mol
LogP1.55
Rot. Bonds4

About 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride (PubChem CID 120922590) has the molecular formula C14H19Cl2N3O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
PubChem CID120922590
Molecular FormulaC14H19Cl2N3O3
Molecular Weight348.23 g/mol
Exact Mass347.08
IUPAC Name4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCOCC1
InChIInChI=1S/C14H18ClN3O3.ClH/c15-11-2-1-9(7-10(11)12(17)19)18-13(20)14(8-16)3-5-21-6-4-14;/h1-2,7H,3-6,8,16H2,(H2,17,19)(H,18,20);1H
InChIKeyLXAOGULPCCKHFC-UHFFFAOYSA-N
XLogP1.55
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
4-(aminomethyl)-N-[3-chloro-4-(methylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926896
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
N-(3-acetamido-4-fluorophenyl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120921189
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-(2-carbamoylphenyl)oxane-4-carboxamide
CID 115438930
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
4-(aminomethyl)-N-[4-(dimethylcarbamoyl)-3-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120934587
1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
CID 115453515
N-(3-acetamido-4-methylphenyl)-4-(aminomethyl)oxane-4-carboxamide
CID 120922553
4-(aminomethyl)-N-[4-(2-chlorophenyl)sulfanylphenyl]oxane-4-carboxamide
CID 120928265

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride (CID 120922590) is 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride?
The InChIKey is LXAOGULPCCKHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3.ClH/c15-11-2-1-9(7-10(11)12(17)19)18-13(20)14(8-16)3-5-21-6-4-14;/h1-2,7H,3-6,8,16H2,(H2,17,19)(H,18,20);1H.
What are the key properties of 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride has a molecular weight of 348.23 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120922590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).