3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 63044483

IUPAC3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H26N2O2/c1-12(5-6-13-7-9-16(20)10-8-13)19-17(21)14-3-2-4-15(18)11-14/h7-10,12,14-15,20H,2-6,11,18H2,1H3,(H,19,21)
InChIKeyUISJXITTWZIITB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.35
Rot. Bonds5

About 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide

3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide (PubChem CID 63044483) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
PubChem CID63044483
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)C1CCCC(N)C1
InChIInChI=1S/C17H26N2O2/c1-12(5-6-13-7-9-16(20)10-8-13)19-17(21)14-3-2-4-15(18)11-14/h7-10,12,14-15,20H,2-6,11,18H2,1H3,(H,19,21)
InChIKeyUISJXITTWZIITB-UHFFFAOYSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
6-[(3-aminocyclohexanecarbonyl)amino]-2-methylheptanoic acid
CID 65286189
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
3-amino-N-pent-4-en-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 119793621
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114423143

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide (CID 63044483) is 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide is CC(CCc1ccc(O)cc1)NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is UISJXITTWZIITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(5-6-13-7-9-16(20)10-8-13)19-17(21)14-3-2-4-15(18)11-14/h7-10,12,14-15,20H,2-6,11,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide?
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63044483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).