3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide

C17H26N4O3 — CID 95239252

IUPAC3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)N[C@@H](C)CC)c1
InChIInChI=1S/C17H26N4O3/c1-5-11(3)19-15(22)12(4)20-17(24)21-14-9-7-8-13(10-14)16(23)18-6-2/h7-12H,5-6H2,1-4H3,(H,18,23)(H,19,22)(H2,20,21,24)/t11-,12+/m0/s1
InChIKeyJDFXGWUFBFXPLL-NWDGAFQWSA-N
MW334.42 g/mol
LogP1.86
Rot. Bonds7

About 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide

3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide (PubChem CID 95239252) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide
PubChem CID95239252
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)N[C@@H](C)CC)c1
InChIInChI=1S/C17H26N4O3/c1-5-11(3)19-15(22)12(4)20-17(24)21-14-9-7-8-13(10-14)16(23)18-6-2/h7-12H,5-6H2,1-4H3,(H,18,23)(H,19,22)(H2,20,21,24)/t11-,12+/m0/s1
InChIKeyJDFXGWUFBFXPLL-NWDGAFQWSA-N
XLogP1.86
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47200674
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
(2R)-N-[(2R)-butan-2-yl]-2-[[3-(propan-2-yloxymethyl)phenyl]carbamoylamino]propanamide
CID 94962174
3-acetamido-N-ethylbenzamide
CID 17230670
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
CID 42579564
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2-methylbenzamide
CID 42427396
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide?
The IUPAC name of 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide (CID 95239252) is 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide?
The canonical SMILES for 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)N[C@H](C)C(=O)N[C@@H](C)CC)c1.
What is the InChIKey of 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide?
The InChIKey is JDFXGWUFBFXPLL-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-5-11(3)19-15(22)12(4)20-17(24)21-14-9-7-8-13(10-14)16(23)18-6-2/h7-12H,5-6H2,1-4H3,(H,18,23)(H,19,22)(H2,20,21,24)/t11-,12+/m0/s1.
What are the key properties of 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide?
3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.86, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N-ethylbenzamide is sourced from PubChem (CID 95239252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).