N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide

C16H25NO — CID 94840429

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C16H25NO/c1-6-12(2)13-9-7-8-10-14(13)17-15(18)11-16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,17,18)/t12-/m0/s1
InChIKeyWXIPMTPPYRZYPA-LBPRGKRZSA-N
MW247.38 g/mol
LogP4.57
Rot. Bonds4

About N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide

N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide (PubChem CID 94840429) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
PubChem CID94840429
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C16H25NO/c1-6-12(2)13-9-7-8-10-14(13)17-15(18)11-16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,17,18)/t12-/m0/s1
InChIKeyWXIPMTPPYRZYPA-LBPRGKRZSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 55247136
N-(2-butan-2-ylphenyl)-2-isocyanoacetamide
CID 108814877
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 959855
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365149
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365150
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide (CID 94840429) is N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide is CC[C@H](C)c1ccccc1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide?
The InChIKey is WXIPMTPPYRZYPA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-12(2)13-9-7-8-10-14(13)17-15(18)11-16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide?
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide has a molecular weight of 247.38 g/mol, XLogP of 4.57, 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 94840429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).