4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide

C17H26N4O3 — CID 95296510

IUPAC4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C17H26N4O3/c1-10-9-12(15(23)18-6)7-8-13(10)20-16(24)19-11(2)14(22)21-17(3,4)5/h7-9,11H,1-6H3,(H,18,23)(H,21,22)(H2,19,20,24)/t11-/m1/s1
InChIKeyBSSRTFYSIXLNFG-LLVKDONJSA-N
MW334.42 g/mol
LogP1.78
Rot. Bonds4

About 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide

4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide (PubChem CID 95296510) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide
PubChem CID95296510
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)c1
InChIInChI=1S/C17H26N4O3/c1-10-9-12(15(23)18-6)7-8-13(10)20-16(24)19-11(2)14(22)21-17(3,4)5/h7-9,11H,1-6H3,(H,18,23)(H,21,22)(H2,19,20,24)/t11-/m1/s1
InChIKeyBSSRTFYSIXLNFG-LLVKDONJSA-N
XLogP1.78
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

4-(2,2-dimethylpropanoylamino)-N,3-dimethylbenzamide
CID 61215739
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
(2R)-N-tert-butyl-2-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95300771
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-iodobenzamide
CID 104627869
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
N-[2-methyl-4-(methylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 131905172
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-hydroxy-4-methoxybenzamide
CID 115674461

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide (CID 95296510) is 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)c1.
What is the InChIKey of 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide?
The InChIKey is BSSRTFYSIXLNFG-LLVKDONJSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-10-9-12(15(23)18-6)7-8-13(10)20-16(24)19-11(2)14(22)21-17(3,4)5/h7-9,11H,1-6H3,(H,18,23)(H,21,22)(H2,19,20,24)/t11-/m1/s1.
What are the key properties of 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide?
4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 95296510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).