3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride

C19H28BrClN2O2 — CID 119768583

IUPAC3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1
InChIInChI=1S/C19H27BrN2O2.ClH/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)13-22-18(23)14-2-1-3-17(21)12-14;/h4-7,14,17H,1-3,8-13,21H2,(H,22,23);1H
InChIKeyYPDFXNUSVXVJQU-UHFFFAOYSA-N
MW431.80 g/mol
LogP3.55
Rot. Bonds4

About 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119768583) has the molecular formula C19H28BrClN2O2 and a molecular weight of 431.80 g/mol. Its IUPAC name is 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119768583
Molecular FormulaC19H28BrClN2O2
Molecular Weight431.80 g/mol
Exact Mass430.10
IUPAC Name3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1
InChIInChI=1S/C19H27BrN2O2.ClH/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)13-22-18(23)14-2-1-3-17(21)12-14;/h4-7,14,17H,1-3,8-13,21H2,(H,22,23);1H
InChIKeyYPDFXNUSVXVJQU-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.80
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119786274
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119749801
3-amino-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749716
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749802
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
3-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119799668
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119768583) is 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NCC2(c3ccc(Br)cc3)CCOCC2)C1.
What is the InChIKey of 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YPDFXNUSVXVJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2.ClH/c20-16-6-4-15(5-7-16)19(8-10-24-11-9-19)13-22-18(23)14-2-1-3-17(21)12-14;/h4-7,14,17H,1-3,8-13,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 431.80 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119768583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).