4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide

C18H25ClN2O2 — CID 120930589

IUPAC4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c19-15-4-2-14(3-5-15)18(6-1-7-18)13-21-16(22)17(12-20)8-10-23-11-9-17/h2-5H,1,6-13,20H2,(H,21,22)
InChIKeyWZOOFILPXFDNCY-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.63
Rot. Bonds5

About 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide (PubChem CID 120930589) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
PubChem CID120930589
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCOCC1
InChIInChI=1S/C18H25ClN2O2/c19-15-4-2-14(3-5-15)18(6-1-7-18)13-21-16(22)17(12-20)8-10-23-11-9-17/h2-5H,1,6-13,20H2,(H,21,22)
InChIKeyWZOOFILPXFDNCY-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927834
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120930158
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide (CID 120930589) is 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide is NCC1(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide?
The InChIKey is WZOOFILPXFDNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-15-4-2-14(3-5-15)18(6-1-7-18)13-21-16(22)17(12-20)8-10-23-11-9-17/h2-5H,1,6-13,20H2,(H,21,22).
What are the key properties of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide has a molecular weight of 336.86 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 120930589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).