N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide

C15H22N2O2 — CID 43053096

IUPACN-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NC(C)(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11(10-13(18)17-15(2,3)4)16-14(19)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKTYKQWCWDQBJOE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.11
Rot. Bonds4

About N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide

N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide (PubChem CID 43053096) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
PubChem CID43053096
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NC(C)(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11(10-13(18)17-15(2,3)4)16-14(19)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKTYKQWCWDQBJOE-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-oxobutan-2-yl]benzamide
CID 110000733
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
N-[4-[(4-hydroxy-2,2-dimethylpentyl)amino]-4-oxobutan-2-yl]benzamide
CID 111480028
methyl 3-benzamidobutanoate
CID 10857046
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51195725
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367
[2-(tert-butylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2582731

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide (CID 43053096) is N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide is CC(CC(=O)NC(C)(C)C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide?
The InChIKey is KTYKQWCWDQBJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(10-13(18)17-15(2,3)4)16-14(19)12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide?
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 43053096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).