2-(propan-2-ylcarbamoylamino)-N-propylpropanamide

C10H21N3O2 — CID 115579917

IUPAC2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)NC(C)C
InChIInChI=1S/C10H21N3O2/c1-5-6-11-9(14)8(4)13-10(15)12-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,14)(H2,12,13,15)
InChIKeyRLQAJYOYJTZRBA-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.61
Rot. Bonds5

About 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide

2-(propan-2-ylcarbamoylamino)-N-propylpropanamide (PubChem CID 115579917) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
PubChem CID115579917
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-(propan-2-ylcarbamoylamino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(=O)NC(C)C
InChIInChI=1S/C10H21N3O2/c1-5-6-11-9(14)8(4)13-10(15)12-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,14)(H2,12,13,15)
InChIKeyRLQAJYOYJTZRBA-UHFFFAOYSA-N
XLogP0.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
N-(2-methylpropyl)-2-(propan-2-ylcarbamoylamino)propanamide
CID 116657699
(2S)-3,3-dimethyl-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 61478990
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
2-(cyclohexylcarbamoylamino)-N-propylpropanamide
CID 47112302
(2R)-4-hydroxy-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107826833
(2S)-2-[(2-chloroacetyl)amino]-N-propylpropanamide
CID 9207769
4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 54958611
2-(carbamothioylamino)-N-propylpropanamide
CID 61476796
2-hydroxy-4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 107838991
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9227810
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62492310

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide?
The IUPAC name of 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide (CID 115579917) is 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide.
What is the SMILES notation for 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide?
The canonical SMILES for 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide is CCCNC(=O)C(C)NC(=O)NC(C)C.
What is the InChIKey of 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide?
The InChIKey is RLQAJYOYJTZRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-6-11-9(14)8(4)13-10(15)12-7(2)3/h7-8H,5-6H2,1-4H3,(H,11,14)(H2,12,13,15).
What are the key properties of 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide?
2-(propan-2-ylcarbamoylamino)-N-propylpropanamide has a molecular weight of 215.30 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylcarbamoylamino)-N-propylpropanamide is sourced from PubChem (CID 115579917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).