3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide

C22H28N2O3 — CID 119779626

IUPAC3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
SMILESCOCCc1ccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-26-14-13-16-5-9-20(10-6-16)27-21-11-7-19(8-12-21)24-22(25)17-3-2-4-18(23)15-17/h5-12,17-18H,2-4,13-15,23H2,1H3,(H,24,25)
InChIKeyVFYHPZWVVKUMGM-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.12
Rot. Bonds7

About 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide

3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide (PubChem CID 119779626) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
PubChem CID119779626
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide
SMILESCOCCc1ccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)cc1
InChIInChI=1S/C22H28N2O3/c1-26-14-13-16-5-9-20(10-6-16)27-21-11-7-19(8-12-21)24-22(25)17-3-2-4-18(23)15-17/h5-12,17-18H,2-4,13-15,23H2,1H3,(H,24,25)
InChIKeyVFYHPZWVVKUMGM-UHFFFAOYSA-N
XLogP4.12
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723414
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide
CID 119769506
2-[[4-[4-(2-methoxyethyl)phenoxy]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976039
3-amino-N-(4-propoxyphenyl)cyclohexane-1-carboxamide
CID 63045073
cis-(1R,3S)-3-amino-N-[4-(3-methoxyphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 154915202
3-amino-N-[4-(4-methylsulfonylphenoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119769505
methyl 4-[4-[(3-aminocyclohexanecarbonyl)amino]phenoxy]butanoate
CID 119784190
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402
methyl 3-[4-[(3-aminocyclopentanecarbonyl)amino]phenyl]propanoate
CID 119775675

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide (CID 119779626) is 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide is COCCc1ccc(Oc2ccc(NC(=O)C3CCCC(N)C3)cc2)cc1.
What is the InChIKey of 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide?
The InChIKey is VFYHPZWVVKUMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-14-13-16-5-9-20(10-6-16)27-21-11-7-19(8-12-21)24-22(25)17-3-2-4-18(23)15-17/h5-12,17-18H,2-4,13-15,23H2,1H3,(H,24,25).
What are the key properties of 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide?
3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[4-(2-methoxyethyl)phenoxy]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119779626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).