3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide

C23H30N2O2 — CID 1241661

IUPAC3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1
InChIInChI=1S/C23H30N2O2/c1-4-19(5-2)22(26)25-21-13-9-12-20(16-21)23(27)24-17(3)14-15-18-10-7-6-8-11-18/h6-13,16-17,19H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,26)/t17-/m0/s1
InChIKeyWUDJIUADVSRNOK-KRWDZBQOSA-N
MW366.50 g/mol
LogP4.81
Rot. Bonds9

About 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide

3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 1241661) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID1241661
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1
InChIInChI=1S/C23H30N2O2/c1-4-19(5-2)22(26)25-21-13-9-12-20(16-21)23(27)24-17(3)14-15-18-10-7-6-8-11-18/h6-13,16-17,19H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,26)/t17-/m0/s1
InChIKeyWUDJIUADVSRNOK-KRWDZBQOSA-N
XLogP4.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)benzamide
CID 18107551
3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 41453393
3-bromo-N-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 2946068
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
3-chloro-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 808043
5-(2-methylpropyl)-N-[3-(4-phenylbutan-2-ylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330011
3-(2-ethylbutanoylamino)-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321477
3-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoate
CID 6978042
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
5-(methoxymethyl)-N-[3-[[(2S)-4-phenylbutan-2-yl]carbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871915

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 1241661) is 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1.
What is the InChIKey of 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is WUDJIUADVSRNOK-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-19(5-2)22(26)25-21-13-9-12-20(16-21)23(27)24-17(3)14-15-18-10-7-6-8-11-18/h6-13,16-17,19H,4-5,14-15H2,1-3H3,(H,24,27)(H,25,26)/t17-/m0/s1.
What are the key properties of 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide?
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 366.50 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 1241661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).