2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide

C21H32N2O3 — CID 119793771

IUPAC2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide
SMILESNC1CCCCCCC1C(=O)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C21H32N2O3/c22-18-8-4-2-1-3-7-17(18)21(25)23-15-11-13-16(14-12-15)26-20-10-6-5-9-19(20)24/h11-14,17-20,24H,1-10,22H2,(H,23,25)
InChIKeyRBHONAKVQNXSLD-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.61
Rot. Bonds4

About 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide

2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide (PubChem CID 119793771) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide
PubChem CID119793771
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide
SMILESNC1CCCCCCC1C(=O)Nc1ccc(OC2CCCCC2O)cc1
InChIInChI=1S/C21H32N2O3/c22-18-8-4-2-1-3-7-17(18)21(25)23-15-11-13-16(14-12-15)26-20-10-6-5-9-19(20)24/h11-14,17-20,24H,1-10,22H2,(H,23,25)
InChIKeyRBHONAKVQNXSLD-UHFFFAOYSA-N
XLogP3.61
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-cyclopentyloxyphenyl)cyclopentane-1-carboxamide
CID 64824128
2-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 64816977
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
2-amino-N-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 64818115
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
2-amino-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823317
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide (CID 119793771) is 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide is NC1CCCCCCC1C(=O)Nc1ccc(OC2CCCCC2O)cc1.
What is the InChIKey of 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide?
The InChIKey is RBHONAKVQNXSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c22-18-8-4-2-1-3-7-17(18)21(25)23-15-11-13-16(14-12-15)26-20-10-6-5-9-19(20)24/h11-14,17-20,24H,1-10,22H2,(H,23,25).
What are the key properties of 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide?
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide is sourced from PubChem (CID 119793771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).