4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride

C20H30Cl2N2O2 — CID 120930158

IUPAC4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)CCOCC1
InChIInChI=1S/C20H29ClN2O2.ClH/c21-17-6-4-16(5-7-17)20(8-2-1-3-9-20)15-23-18(24)19(14-22)10-12-25-13-11-19;/h4-7H,1-3,8-15,22H2,(H,23,24);1H
InChIKeyIAJHTRYBFONZJG-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.84
Rot. Bonds5

About 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride (PubChem CID 120930158) has the molecular formula C20H30Cl2N2O2 and a molecular weight of 401.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
PubChem CID120930158
Molecular FormulaC20H30Cl2N2O2
Molecular Weight401.38 g/mol
Exact Mass400.17
IUPAC Name4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
SMILESCl.NCC1(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)CCOCC1
InChIInChI=1S/C20H29ClN2O2.ClH/c21-17-6-4-16(5-7-17)20(8-2-1-3-9-20)15-23-18(24)19(14-22)10-12-25-13-11-19;/h4-7H,1-3,8-15,22H2,(H,23,24);1H
InChIKeyIAJHTRYBFONZJG-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.84
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)cyclobutyl]methyl]oxane-4-carboxamide
CID 120930589
4-(aminomethyl)-N-[(1-phenylcyclopentyl)methyl]oxane-4-carboxamide
CID 120920461
4-(aminomethyl)-N-[(1-phenylcyclobutyl)methyl]oxane-4-carboxamide
CID 120920624
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
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
4-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120927497
(2R)-2-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303662
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride (CID 120930158) is 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride is Cl.NCC1(C(=O)NCC2(c3ccc(Cl)cc3)CCCCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride?
The InChIKey is IAJHTRYBFONZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2.ClH/c21-17-6-4-16(5-7-17)20(8-2-1-3-9-20)15-23-18(24)19(14-22)10-12-25-13-11-19;/h4-7H,1-3,8-15,22H2,(H,23,24);1H.
What are the key properties of 4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride has a molecular weight of 401.38 g/mol, XLogP of 3.84, 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)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120930158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).