2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen

C17H25NO — CID 153371003

IUPAC2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen
SMILESCC(C)Cc1ccc(C#CCNC(=O)C(C)C)cc1.[H][H]
InChIInChI=1S/C17H23NO.H2/c1-13(2)12-16-9-7-15(8-10-16)6-5-11-18-17(19)14(3)4;/h7-10,13-14H,11-12H2,1-4H3,(H,18,19);1H
InChIKeyOUSFGFTZHYFHHP-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.25
Rot. Bonds4

About 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen

2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen (PubChem CID 153371003) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen
PubChem CID153371003
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen
SMILESCC(C)Cc1ccc(C#CCNC(=O)C(C)C)cc1.[H][H]
InChIInChI=1S/C17H23NO.H2/c1-13(2)12-16-9-7-15(8-10-16)6-5-11-18-17(19)14(3)4;/h7-10,13-14H,11-12H2,1-4H3,(H,18,19);1H
InChIKeyOUSFGFTZHYFHHP-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[3-[4-(2-methylbutyl)phenyl]phenyl]methyl]propanamide;2-methyl-N-[3-[3-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen
CID 156747357
N-[3-[4-(3-methylbutyl)phenyl]prop-2-ynyl]propanamide
CID 168888399
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
3-[2-[4-(2-methylpropyl)phenyl]propanoylamino]propanoic acid
CID 85049753
2-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 13406788
2-(4-chlorophenyl)-N-(3-phenylprop-2-ynyl)acetamide
CID 51325787
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
2-[4-(2-methylpropyl)phenyl]-N-propan-2-ylacetamide
CID 78814712
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610
2-[4-(2-methylpropyl)phenyl]-N-propylacetamide
CID 78814444
2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]acetic acid
CID 101407950
2-naphthalen-2-yl-N-(3-phenylprop-2-ynyl)acetamide
CID 51332454

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen?
The IUPAC name of 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen (CID 153371003) is 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen is CC(C)Cc1ccc(C#CCNC(=O)C(C)C)cc1.[H][H].
What is the InChIKey of 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen?
The InChIKey is OUSFGFTZHYFHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO.H2/c1-13(2)12-16-9-7-15(8-10-16)6-5-11-18-17(19)14(3)4;/h7-10,13-14H,11-12H2,1-4H3,(H,18,19);1H.
What are the key properties of 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen?
2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen has a molecular weight of 259.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(2-methylpropyl)phenyl]prop-2-ynyl]propanamide;molecular hydrogen is sourced from PubChem (CID 153371003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).