N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide

C19H28N2O2 — CID 9115909

IUPACN-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC1
InChIInChI=1S/C19H28N2O2/c1-13(2)16(18(23)21-11-6-12-21)20-17(22)14-7-9-15(10-8-14)19(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22)/t16-/m1/s1
InChIKeyGFPPJYNCVUBIDK-MRXNPFEDSA-N
MW316.44 g/mol
LogP2.97
Rot. Bonds4

About N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide

N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide (PubChem CID 9115909) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
PubChem CID9115909
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC1
InChIInChI=1S/C19H28N2O2/c1-13(2)16(18(23)21-11-6-12-21)20-17(22)14-7-9-15(10-8-14)19(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22)/t16-/m1/s1
InChIKeyGFPPJYNCVUBIDK-MRXNPFEDSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119418511
4-tert-butyl-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119563820
4-tert-butyl-N-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 55437877
methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate
CID 97254272
N-[1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 120656553
4-tert-butyl-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55944109
4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 154864361
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
[2-(azepan-1-yl)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7564710
4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 110349066
4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9208945

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide?
The IUPAC name of N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide (CID 9115909) is N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide?
The canonical SMILES for N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide is CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC1.
What is the InChIKey of N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide?
The InChIKey is GFPPJYNCVUBIDK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)16(18(23)21-11-6-12-21)20-17(22)14-7-9-15(10-8-14)19(3,4)5/h7-10,13,16H,6,11-12H2,1-5H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide?
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide has a molecular weight of 316.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide is sourced from PubChem (CID 9115909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).