trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide

C18H28N2O2 — CID 99855685

IUPACtrans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1CCCC[C@H]1N[C@@H](C)CCc1ccc(O)cc1
InChIInChI=1S/C18H28N2O2/c1-13(7-8-14-9-11-15(21)12-10-14)20-17-6-4-3-5-16(17)18(22)19-2/h9-13,16-17,20-21H,3-8H2,1-2H3,(H,19,22)/t13-,16+,17+/m0/s1
InChIKeyZCPOLPYEDLYQGE-IAOVAPTHSA-N
MW304.43 g/mol
LogP2.61
Rot. Bonds6

About trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide

trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide (PubChem CID 99855685) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide
PubChem CID99855685
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametrans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1CCCC[C@H]1N[C@@H](C)CCc1ccc(O)cc1
InChIInChI=1S/C18H28N2O2/c1-13(7-8-14-9-11-15(21)12-10-14)20-17-6-4-3-5-16(17)18(22)19-2/h9-13,16-17,20-21H,3-8H2,1-2H3,(H,19,22)/t13-,16+,17+/m0/s1
InChIKeyZCPOLPYEDLYQGE-IAOVAPTHSA-N
XLogP2.61
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide with MolForge

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Related Compounds

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CID 129446179
4-[3-[(3-methylcyclohexyl)amino]butyl]phenol
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4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
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3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
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4-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butyl]phenol
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CID 111427824
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-methylpiperidine-2-carboxamide
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2-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylpropanamide
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4-[3-(2-hydroxybutylamino)butyl]phenol
CID 113492026

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide (CID 99855685) is trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide is CNC(=O)[C@@H]1CCCC[C@H]1N[C@@H](C)CCc1ccc(O)cc1.
What is the InChIKey of trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is ZCPOLPYEDLYQGE-IAOVAPTHSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(7-8-14-9-11-15(21)12-10-14)20-17-6-4-3-5-16(17)18(22)19-2/h9-13,16-17,20-21H,3-8H2,1-2H3,(H,19,22)/t13-,16+,17+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide?
trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 99855685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).