N-[2-(2-methylpropyl)phenyl]but-2-ynamide

C14H17NO — CID 138539040

IUPACN-[2-(2-methylpropyl)phenyl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccccc1CC(C)C
InChIInChI=1S/C14H17NO/c1-4-7-14(16)15-13-9-6-5-8-12(13)10-11(2)3/h5-6,8-9,11H,10H2,1-3H3,(H,15,16)
InChIKeyJSZNNZHHUDKVDE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.85
Rot. Bonds3

About N-[2-(2-methylpropyl)phenyl]but-2-ynamide

N-[2-(2-methylpropyl)phenyl]but-2-ynamide (PubChem CID 138539040) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)phenyl]but-2-ynamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)phenyl]but-2-ynamide
PubChem CID138539040
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[2-(2-methylpropyl)phenyl]but-2-ynamide
SMILESCC#CC(=O)Nc1ccccc1CC(C)C
InChIInChI=1S/C14H17NO/c1-4-7-14(16)15-13-9-6-5-8-12(13)10-11(2)3/h5-6,8-9,11H,10H2,1-3H3,(H,15,16)
InChIKeyJSZNNZHHUDKVDE-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.85
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

N-[2-(2-methylpropyl)phenyl]butanamide
CID 130436413
N-(2-aminophenyl)but-2-ynamide
CID 90330903
N-[2-[[but-2-ynoyl(methyl)amino]methyl]phenyl]but-2-ynamide;2,2,2-trifluoroacetic acid
CID 167966568
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
2-[2-(but-2-ynoylamino)phenoxy]acetic acid
CID 107986692
1-[[2-(but-2-ynoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 166403364
1-[2-hydroxy-3-(2-methylpropyl)phenyl]-3-methylurea
CID 134117770
(2S)-N-(2-ethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228333
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517
2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341724
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)phenyl]but-2-ynamide?
The IUPAC name of N-[2-(2-methylpropyl)phenyl]but-2-ynamide (CID 138539040) is N-[2-(2-methylpropyl)phenyl]but-2-ynamide.
What is the SMILES notation for N-[2-(2-methylpropyl)phenyl]but-2-ynamide?
The canonical SMILES for N-[2-(2-methylpropyl)phenyl]but-2-ynamide is CC#CC(=O)Nc1ccccc1CC(C)C.
What is the InChIKey of N-[2-(2-methylpropyl)phenyl]but-2-ynamide?
The InChIKey is JSZNNZHHUDKVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-7-14(16)15-13-9-6-5-8-12(13)10-11(2)3/h5-6,8-9,11H,10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(2-methylpropyl)phenyl]but-2-ynamide?
N-[2-(2-methylpropyl)phenyl]but-2-ynamide has a molecular weight of 215.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)phenyl]but-2-ynamide is sourced from PubChem (CID 138539040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).