N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

C18H28N4O3 — CID 9227810

IUPACN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C18H28N4O3/c1-5-10-19-16(23)13(4)22-17(24)15-8-6-14(7-9-15)11-20-18(25)21-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,23)(H,22,24)(H2,20,21,25)/t13-/m1/s1
InChIKeyWYOCVKUNZDTHMQ-CYBMUJFWSA-N
MW348.45 g/mol
LogP1.54
Rot. Bonds8

About N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (PubChem CID 9227810) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
PubChem CID9227810
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1ccc(CNC(=O)NC(C)C)cc1
InChIInChI=1S/C18H28N4O3/c1-5-10-19-16(23)13(4)22-17(24)15-8-6-14(7-9-15)11-20-18(25)21-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,23)(H,22,24)(H2,20,21,25)/t13-/m1/s1
InChIKeyWYOCVKUNZDTHMQ-CYBMUJFWSA-N
XLogP1.54
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9207204
N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 47116390
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
N-methoxy-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 33101638
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
CID 115579917
4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
CID 122157402
4-[[2-[(4-tert-butylbenzoyl)amino]propanoylamino]methyl]-N-methylbenzamide
CID 55575519
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 62178002
butyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 24531028
N-[4-[(2S)-butan-2-yl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9270671
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The IUPAC name of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide (CID 9227810) is N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The canonical SMILES for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is CCCNC(=O)[C@@H](C)NC(=O)c1ccc(CNC(=O)NC(C)C)cc1.
What is the InChIKey of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
The InChIKey is WYOCVKUNZDTHMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-5-10-19-16(23)13(4)22-17(24)15-8-6-14(7-9-15)11-20-18(25)21-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,19,23)(H,22,24)(H2,20,21,25)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide?
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 1.54, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide is sourced from PubChem (CID 9227810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).