3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide

C18H25ClN2O3 — CID 119743204

IUPAC3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cc(Cl)ccc2OCC2CCCO2)C1
InChIInChI=1S/C18H25ClN2O3/c19-13-6-7-17(24-11-15-5-2-8-23-15)16(10-13)21-18(22)12-3-1-4-14(20)9-12/h6-7,10,12,14-15H,1-5,8-9,11,20H2,(H,21,22)
InChIKeyCRZCUTGPXUNMTN-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.35
Rot. Bonds5

About 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide

3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide (PubChem CID 119743204) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
PubChem CID119743204
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cc(Cl)ccc2OCC2CCCO2)C1
InChIInChI=1S/C18H25ClN2O3/c19-13-6-7-17(24-11-15-5-2-8-23-15)16(10-13)21-18(22)12-3-1-4-14(20)9-12/h6-7,10,12,14-15H,1-5,8-9,11,20H2,(H,21,22)
InChIKeyCRZCUTGPXUNMTN-UHFFFAOYSA-N
XLogP3.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976807
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
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N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
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N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
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N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 60575055
3-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119712726
3-amino-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
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1-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-(2-hydroxyethyl)urea
CID 95265922
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
6-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]pyridine-2,6-dicarboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide (CID 119743204) is 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cc(Cl)ccc2OCC2CCCO2)C1.
What is the InChIKey of 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
The InChIKey is CRZCUTGPXUNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c19-13-6-7-17(24-11-15-5-2-8-23-15)16(10-13)21-18(22)12-3-1-4-14(20)9-12/h6-7,10,12,14-15H,1-5,8-9,11,20H2,(H,21,22).
What are the key properties of 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119743204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).