N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide

C17H28N2O2 — CID 167077697

IUPACN-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(C[C@@H](O)NC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-12(2)5-10-16(20)19-15-8-6-14(7-9-15)11-17(21)18-13(3)4/h6-9,12-13,17-18,21H,5,10-11H2,1-4H3,(H,19,20)/t17-/m1/s1
InChIKeyQGAGFTXUKCJFGR-QGZVFWFLSA-N
MW292.42 g/mol
LogP2.92
Rot. Bonds8

About N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide

N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide (PubChem CID 167077697) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide
PubChem CID167077697
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(C[C@@H](O)NC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-12(2)5-10-16(20)19-15-8-6-14(7-9-15)11-17(21)18-13(3)4/h6-9,12-13,17-18,21H,5,10-11H2,1-4H3,(H,19,20)/t17-/m1/s1
InChIKeyQGAGFTXUKCJFGR-QGZVFWFLSA-N
XLogP2.92
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
3-[4-(2-methylpropyl)anilino]-3-oxopropanoic acid
CID 115163213
N-[4-(2-bromo-4-methylpentyl)phenyl]butanamide
CID 82259537
7-methyl-N-[2-[[2-[4-(2-methylpropyl)anilino]-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 146406468
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 60803615
N-[4-(2-amino-3-methylbutyl)phenyl]butanamide
CID 82260021
ethyl 4-(4-methylpentanoylamino)benzoate
CID 43404103
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
[4-(4-methylpentanoylamino)phenyl]methyl N-methyl-N-(3-methylbutan-2-yl)carbamate
CID 143795462
2-methyl-4-[4-(2-methylpropyl)anilino]-4-oxobutanoic acid
CID 115164929

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide?
The IUPAC name of N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide (CID 167077697) is N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide?
The canonical SMILES for N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(C[C@@H](O)NC(C)C)cc1.
What is the InChIKey of N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide?
The InChIKey is QGAGFTXUKCJFGR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)5-10-16(20)19-15-8-6-14(7-9-15)11-17(21)18-13(3)4/h6-9,12-13,17-18,21H,5,10-11H2,1-4H3,(H,19,20)/t17-/m1/s1.
What are the key properties of N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide?
N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide has a molecular weight of 292.42 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-2-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]-4-methylpentanamide is sourced from PubChem (CID 167077697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).