N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide

C16H24N2O2 — CID 24639425

IUPACN-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
SMILESCCCC(C)NC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-4-8-12(2)17-15(19)11-13(3)18-16(20)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDNUCUDMKBBIYAS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.50
Rot. Bonds7

About N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide

N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide (PubChem CID 24639425) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
PubChem CID24639425
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
SMILESCCCC(C)NC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-4-8-12(2)17-15(19)11-13(3)18-16(20)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyDNUCUDMKBBIYAS-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R,3S)-2-[[(3R)-3-benzamidobutanoyl]amino]-3-methylpentanoate
CID 95782351
N-[(2S)-pentan-2-yl]-3,3-diphenylpropanamide
CID 2268559
(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-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[(2R)-pentan-2-yl]-4-(2-phenylethynyl)benzamide
CID 32690633
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
methyl 3-benzamidobutanoate
CID 10857046
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutan-2-yl]benzamide
CID 51195725
N-(4-aminobutan-2-yl)benzamide
CID 62087210
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
CID 25408367

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide?
The IUPAC name of N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide (CID 24639425) is N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide.
What is the SMILES notation for N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide?
The canonical SMILES for N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide is CCCC(C)NC(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide?
The InChIKey is DNUCUDMKBBIYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-8-12(2)17-15(19)11-13(3)18-16(20)14-9-6-5-7-10-14/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide?
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide is sourced from PubChem (CID 24639425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).