N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide

C19H28N2O3 — CID 111120078

IUPACN-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESCc1ccccc1C(O)CNC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-14-7-5-6-10-16(14)17(22)13-21-18(23)11-12-20-19(24)15-8-3-2-4-9-15/h5-7,10,15,17,22H,2-4,8-9,11-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyXLSSPHGMOXTWTK-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.23
Rot. Bonds7

About N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide

N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide (PubChem CID 111120078) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
PubChem CID111120078
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
SMILESCc1ccccc1C(O)CNC(=O)CCNC(=O)C1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-14-7-5-6-10-16(14)17(22)13-21-18(23)11-12-20-19(24)15-8-3-2-4-9-15/h5-7,10,15,17,22H,2-4,8-9,11-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyXLSSPHGMOXTWTK-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 110921907
N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxane-3-carboxamide
CID 111119935
2-cyclohexyloxy-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111120177
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
N-[3-(2-hydroxypropylamino)-3-oxopropyl]cyclopentanecarboxamide
CID 43428011
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682
N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103771616
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]cyclopentanecarboxamide
CID 95367123
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111120168
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide (CID 111120078) is N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide is Cc1ccccc1C(O)CNC(=O)CCNC(=O)C1CCCCC1.
What is the InChIKey of N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
The InChIKey is XLSSPHGMOXTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-7-5-6-10-16(14)17(22)13-21-18(23)11-12-20-19(24)15-8-3-2-4-9-15/h5-7,10,15,17,22H,2-4,8-9,11-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide?
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide is sourced from PubChem (CID 111120078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).