N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide

C19H30N2O2 — CID 10245350

IUPACN-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide
SMILESCNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h7,10-12,14,17,20,22H,4-6,8-9,13H2,1-3H3,(H,21,23)
InChIKeyWLUVQLNWUAZDSM-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.38
Rot. Bonds6

About N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide

N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide (PubChem CID 10245350) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide
PubChem CID10245350
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide
SMILESCNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h7,10-12,14,17,20,22H,4-6,8-9,13H2,1-3H3,(H,21,23)
InChIKeyWLUVQLNWUAZDSM-UHFFFAOYSA-N
XLogP3.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide (CID 10245350) is N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide is CNC(c1cccc(O)c1)C(C)(C)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is WLUVQLNWUAZDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,17(20-3)15-10-7-11-16(22)12-15)18(23)21-13-14-8-5-4-6-9-14/h7,10-12,14,17,20,22H,4-6,8-9,13H2,1-3H3,(H,21,23).
What are the key properties of N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide?
N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 318.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 10245350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).