1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride

C17H24Cl2N2O4 — CID 119332133

IUPAC1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(O)c2cc(Cl)c3c(c2)OCCO3)CCCCC1
InChIInChI=1S/C17H23ClN2O4.ClH/c18-12-8-11(9-14-15(12)24-7-6-23-14)13(21)10-20-16(22)17(19)4-2-1-3-5-17;/h8-9,13,21H,1-7,10,19H2,(H,20,22);1H
InChIKeyLZTULKVBCIITFL-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.34
Rot. Bonds4

About 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119332133) has the molecular formula C17H24Cl2N2O4 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119332133
Molecular FormulaC17H24Cl2N2O4
Molecular Weight391.30 g/mol
Exact Mass390.11
IUPAC Name1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCC(O)c2cc(Cl)c3c(c2)OCCO3)CCCCC1
InChIInChI=1S/C17H23ClN2O4.ClH/c18-12-8-11(9-14-15(12)24-7-6-23-14)13(21)10-20-16(22)17(19)4-2-1-3-5-17;/h8-9,13,21H,1-7,10,19H2,(H,20,22);1H
InChIKeyLZTULKVBCIITFL-UHFFFAOYSA-N
XLogP2.34
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119332137
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635170
2-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-3-methoxypropanamide;hydrochloride
CID 120990557
cis-(1S,3R)-3-amino-N-[(2R)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
CID 125134984
trans-(1R,3R)-3-amino-N-[(2S)-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide
CID 124698972
5-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-2-methylbenzamide;hydrochloride
CID 120635163
3-(2-aminophenyl)-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]propanamide;hydrochloride
CID 120611152
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 119798531
1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059
1-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119332175
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 65150991
1-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281081

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119332133) is 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCC(O)c2cc(Cl)c3c(c2)OCCO3)CCCCC1.
What is the InChIKey of 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LZTULKVBCIITFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4.ClH/c18-12-8-11(9-14-15(12)24-7-6-23-14)13(21)10-20-16(22)17(19)4-2-1-3-5-17;/h8-9,13,21H,1-7,10,19H2,(H,20,22);1H.
What are the key properties of 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 391.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119332133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).