N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide

C14H21NO — CID 959786

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)C(C)C
InChIInChI=1S/C14H21NO/c1-5-11(4)12-8-6-7-9-13(12)15-14(16)10(2)3/h6-11H,5H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyFCXLCIZOFJGZPN-NSHDSACASA-N
MW219.33 g/mol
LogP3.79
Rot. Bonds4

About N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide (PubChem CID 959786) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
PubChem CID959786
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)C(C)C
InChIInChI=1S/C14H21NO/c1-5-11(4)12-8-6-7-9-13(12)15-14(16)10(2)3/h6-11H,5H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyFCXLCIZOFJGZPN-NSHDSACASA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
CID 55110758
N-[[2-[(2S)-butan-2-yl]phenyl]carbamothioyl]-2-methylpropanamide
CID 823948
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
1-benzhydryl-3-(2-butan-2-ylphenyl)urea
CID 108867576
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(3-chlorophenoxy)propanamide
CID 9497371

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide (CID 959786) is N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide is CC[C@H](C)c1ccccc1NC(=O)C(C)C.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide?
The InChIKey is FCXLCIZOFJGZPN-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO/c1-5-11(4)12-8-6-7-9-13(12)15-14(16)10(2)3/h6-11H,5H2,1-4H3,(H,15,16)/t11-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide has a molecular weight of 219.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 959786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).