N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide

C16H21NO3 — CID 114875807

IUPACN-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(C#CCO)ccc1OC
InChIInChI=1S/C16H21NO3/c1-4-12(2)10-16(19)17-14-11-13(6-5-9-18)7-8-15(14)20-3/h7-8,11-12,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyZZRMOUIHJRZIDE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.41
Rot. Bonds5

About N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide

N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide (PubChem CID 114875807) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide
PubChem CID114875807
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)Nc1cc(C#CCO)ccc1OC
InChIInChI=1S/C16H21NO3/c1-4-12(2)10-16(19)17-14-11-13(6-5-9-18)7-8-15(14)20-3/h7-8,11-12,18H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyZZRMOUIHJRZIDE-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876342
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-3-methylpentanamide
CID 114875840
1-cyclopropyl-3-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]urea
CID 62700814
methyl N-[5-(4-hydroxybut-1-ynyl)-2-methoxyphenyl]carbamate
CID 54966436
3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811863
4-amino-N-(5-ethyl-2-methoxyphenyl)-3-methylbutanamide
CID 115156220
4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide
CID 115156209
5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394
N-(5-bromo-2-methoxyphenyl)-3-methylbutanamide
CID 47317654
N-butan-2-yl-5-(3-hydroxyprop-1-ynyl)-2-methoxy-N-methylbenzenesulfonamide
CID 60844937
3-(4-methoxy-3-methylphenyl)prop-2-yn-1-ol
CID 60799682

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide (CID 114875807) is N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide is CCC(C)CC(=O)Nc1cc(C#CCO)ccc1OC.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide?
The InChIKey is ZZRMOUIHJRZIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-12(2)10-16(19)17-14-11-13(6-5-9-18)7-8-15(14)20-3/h7-8,11-12,18H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide?
N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide has a molecular weight of 275.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-2-methoxyphenyl]-3-methylpentanamide is sourced from PubChem (CID 114875807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).