N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide

C15H19NO2 — CID 60803615

IUPACN-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(C#CCO)cc1
InChIInChI=1S/C15H19NO2/c1-12(2)5-10-15(18)16-14-8-6-13(7-9-14)4-3-11-17/h6-9,12,17H,5,10-11H2,1-2H3,(H,16,18)
InChIKeyBPIWRVPSMBFBMM-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.41
Rot. Bonds4

About N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide

N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide (PubChem CID 60803615) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
PubChem CID60803615
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(C#CCO)cc1
InChIInChI=1S/C15H19NO2/c1-12(2)5-10-15(18)16-14-8-6-13(7-9-14)4-3-11-17/h6-9,12,17H,5,10-11H2,1-2H3,(H,16,18)
InChIKeyBPIWRVPSMBFBMM-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methylpentanamide
CID 54922812
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
CID 54922436
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-4-methylpentanamide
CID 82766423
N-[4-(methanesulfonamido)phenyl]-4-methylpentanamide
CID 29357603
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 103557419
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
3-[4-(methylamino)phenyl]prop-2-yn-1-ol
CID 22986794
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 60800501
[4-(3-hydroxyprop-1-ynyl)phenyl]thiourea
CID 169485261
N-(4-cyanophenyl)-3-(4-methylpentoxy)propanamide
CID 29001602

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide (CID 60803615) is N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(C#CCO)cc1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide?
The InChIKey is BPIWRVPSMBFBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(2)5-10-15(18)16-14-8-6-13(7-9-14)4-3-11-17/h6-9,12,17H,5,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide?
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide has a molecular weight of 245.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 60803615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).