4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide

C14H21NO — CID 836976

IUPAC4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)CC(C)C)cc1
InChIInChI=1S/C14H21NO/c1-10(2)9-12(4)15-14(16)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyTYRCAQZQYYLHIC-LBPRGKRZSA-N
MW219.33 g/mol
LogP3.16
Rot. Bonds4

About 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide

4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide (PubChem CID 836976) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
PubChem CID836976
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)CC(C)C)cc1
InChIInChI=1S/C14H21NO/c1-10(2)9-12(4)15-14(16)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)/t12-/m0/s1
InChIKeyTYRCAQZQYYLHIC-LBPRGKRZSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromobutan-2-yl)-4-methylbenzamide
CID 83180516
4-(4-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 43372353
3,4-dichloro-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59897100
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
N-[(2S)-1-(diethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylbenzamide
CID 102306960
3,5-dihydroxy-N-(4-methylpentan-2-yl)benzamide
CID 91649720
N-[(2R)-1,1,1-trideuterio-4-methylpentan-2-yl]benzamide
CID 176730302
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
4-amino-3-hydroxy-N-(4-methylpentan-2-yl)benzamide
CID 107074043
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
N-(1-aminoethyl)-4-methylbenzamide;hydrochloride
CID 18770702

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide (CID 836976) is 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide is Cc1ccc(C(=O)N[C@@H](C)CC(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide?
The InChIKey is TYRCAQZQYYLHIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)9-12(4)15-14(16)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3,(H,15,16)/t12-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide?
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide has a molecular weight of 219.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 836976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).