N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide

C21H32N2O2 — CID 92982082

IUPACN-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)[C@@H](C(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C21H32N2O2/c1-4-15-23(21(25)17-11-7-5-8-12-17)19(16(2)3)20(24)22-18-13-9-6-10-14-18/h5,7-8,11-12,16,18-19H,4,6,9-10,13-15H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyZWNARWJWWSTYBJ-LJQANCHMSA-N
MW344.50 g/mol
LogP4.01
Rot. Bonds7

About N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide

N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide (PubChem CID 92982082) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide
PubChem CID92982082
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide
SMILESCCCN(C(=O)c1ccccc1)[C@@H](C(=O)NC1CCCCC1)C(C)C
InChIInChI=1S/C21H32N2O2/c1-4-15-23(21(25)17-11-7-5-8-12-17)19(16(2)3)20(24)22-18-13-9-6-10-14-18/h5,7-8,11-12,16,18-19H,4,6,9-10,13-15H2,1-3H3,(H,22,24)/t19-/m1/s1
InChIKeyZWNARWJWWSTYBJ-LJQANCHMSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-6-phenyl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 45076812
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CID 100517141
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide
CID 166332777
1-N-cycloheptyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056099
N-[(2S,3S)-1-(cycloheptylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613190
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 50992708
N-cycloheptyl-2-phenylbutanamide
CID 2890971
N'-benzoyl-N'-(1-cyclohexylethyl)benzohydrazide
CID 139683591
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332781

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide?
The IUPAC name of N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide (CID 92982082) is N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide.
What is the SMILES notation for N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide?
The canonical SMILES for N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide is CCCN(C(=O)c1ccccc1)[C@@H](C(=O)NC1CCCCC1)C(C)C.
What is the InChIKey of N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide?
The InChIKey is ZWNARWJWWSTYBJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-4-15-23(21(25)17-11-7-5-8-12-17)19(16(2)3)20(24)22-18-13-9-6-10-14-18/h5,7-8,11-12,16,18-19H,4,6,9-10,13-15H2,1-3H3,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide?
N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide has a molecular weight of 344.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide is sourced from PubChem (CID 92982082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).