N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide

C17H26N2O2 — CID 94180645

IUPACN-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H](C)CC)c1
InChIInChI=1S/C17H26N2O2/c1-5-12(3)16(20)18-11-14-8-7-9-15(10-14)17(21)19-13(4)6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1
InChIKeyHUKFFFWRZIBWIM-STQMWFEESA-N
MW290.41 g/mol
LogP2.88
Rot. Bonds7

About N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide

N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide (PubChem CID 94180645) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
PubChem CID94180645
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
SMILESCC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H](C)CC)c1
InChIInChI=1S/C17H26N2O2/c1-5-12(3)16(20)18-11-14-8-7-9-15(10-14)17(21)19-13(4)6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1
InChIKeyHUKFFFWRZIBWIM-STQMWFEESA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719774
3-[(2-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287338
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
N-butan-2-yl-3-[[2-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzamide
CID 55794894
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-(bromomethyl)-N-butan-2-ylbenzamide
CID 82109543
N-[(2S)-butan-2-yl]-3-[[[(2R,3S)-3-methylpentan-2-yl]amino]methyl]benzamide
CID 97321825

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide (CID 94180645) is N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide is CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H](C)CC)c1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide?
The InChIKey is HUKFFFWRZIBWIM-STQMWFEESA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-12(3)16(20)18-11-14-8-7-9-15(10-14)17(21)19-13(4)6-2/h7-10,12-13H,5-6,11H2,1-4H3,(H,18,20)(H,19,21)/t12-,13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide?
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide is sourced from PubChem (CID 94180645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).