3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide

C17H26N4O3 — CID 95239461

IUPAC3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide
SMILESCC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C(=O)NC)c1C
InChIInChI=1S/C17H26N4O3/c1-6-10(2)19-15(22)12(4)20-17(24)21-14-9-7-8-13(11(14)3)16(23)18-5/h7-10,12H,6H2,1-5H3,(H,18,23)(H,19,22)(H2,20,21,24)/t10-,12-/m0/s1
InChIKeyXXUZFJPAIWWFJN-JQWIXIFHSA-N
MW334.42 g/mol
LogP1.78
Rot. Bonds6

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

3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide (PubChem CID 95239461) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide
PubChem CID95239461
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide
SMILESCC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C(=O)NC)c1C
InChIInChI=1S/C17H26N4O3/c1-6-10(2)19-15(22)12(4)20-17(24)21-14-9-7-8-13(11(14)3)16(23)18-5/h7-10,12H,6H2,1-5H3,(H,18,23)(H,19,22)(H2,20,21,24)/t10-,12-/m0/s1
InChIKeyXXUZFJPAIWWFJN-JQWIXIFHSA-N
XLogP1.78
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide with MolForge

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Related Compounds

(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
3-(hexan-2-ylcarbamoylamino)-2-methylbenzoic acid
CID 62947766
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
3-(butan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833436
3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
CID 60854743
3-(1-methoxypropan-2-ylcarbamoylamino)-2-methylbenzoic acid
CID 62948247
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide
CID 95154688

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide (CID 95239461) is 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide is CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C(=O)NC)c1C.
What is the InChIKey of 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide?
The InChIKey is XXUZFJPAIWWFJN-JQWIXIFHSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-6-10(2)19-15(22)12(4)20-17(24)21-14-9-7-8-13(11(14)3)16(23)18-5/h7-10,12H,6H2,1-5H3,(H,18,23)(H,19,22)(H2,20,21,24)/t10-,12-/m0/s1.
What are the key properties of 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide?
3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.78, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 95239461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).