N-[2-(2-methylpropyl)phenyl]butanamide

C14H21NO — CID 130436413

IUPACN-[2-(2-methylpropyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1CC(C)C
InChIInChI=1S/C14H21NO/c1-4-7-14(16)15-13-9-6-5-8-12(13)10-11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,15,16)
InChIKeyNREGZDAVUDRTGB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(2-methylpropyl)phenyl]butanamide

N-[2-(2-methylpropyl)phenyl]butanamide (PubChem CID 130436413) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)phenyl]butanamide
PubChem CID130436413
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(2-methylpropyl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1CC(C)C
InChIInChI=1S/C14H21NO/c1-4-7-14(16)15-13-9-6-5-8-12(13)10-11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,15,16)
InChIKeyNREGZDAVUDRTGB-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(bromomethyl)phenyl]butanamide
CID 70105715
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
N-[2-(2-methylpropyl)phenyl]but-2-ynamide
CID 138539040
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-(2-fluorophenyl)butanamide
CID 849021
N-(2-bromophenyl)butanamide
CID 732405
N-(2-ethylphenyl)undecanamide
CID 5078439
N-(2-ethylphenyl)heptanamide
CID 4582103
N-[2-[[(2R)-2-phenoxypropanoyl]amino]phenyl]butanamide
CID 1255249
N-[2-(2-phenoxypropanoylamino)phenyl]butanamide
CID 2977242

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)phenyl]butanamide?
The IUPAC name of N-[2-(2-methylpropyl)phenyl]butanamide (CID 130436413) is N-[2-(2-methylpropyl)phenyl]butanamide.
What is the SMILES notation for N-[2-(2-methylpropyl)phenyl]butanamide?
The canonical SMILES for N-[2-(2-methylpropyl)phenyl]butanamide is CCCC(=O)Nc1ccccc1CC(C)C.
What is the InChIKey of N-[2-(2-methylpropyl)phenyl]butanamide?
The InChIKey is NREGZDAVUDRTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-7-14(16)15-13-9-6-5-8-12(13)10-11(2)3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(2-methylpropyl)phenyl]butanamide?
N-[2-(2-methylpropyl)phenyl]butanamide has a molecular weight of 219.33 g/mol, XLogP of 3.62, 5 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]butanamide is sourced from PubChem (CID 130436413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).