3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide

C12H25N3O2 — CID 60547146

IUPAC3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NC(C)C(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-13-11(16)6-8-14-12(17)15-10(4)9(2)3/h9-10H,5-8H2,1-4H3,(H,13,16)(H2,14,15,17)
InChIKeyRYAJNCJPSYIRGW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.25
Rot. Bonds7

About 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide

3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide (PubChem CID 60547146) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
PubChem CID60547146
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)NC(C)C(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-13-11(16)6-8-14-12(17)15-10(4)9(2)3/h9-10H,5-8H2,1-4H3,(H,13,16)(H2,14,15,17)
InChIKeyRYAJNCJPSYIRGW-UHFFFAOYSA-N
XLogP1.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-(3-methylbutan-2-ylcarbamoylamino)propanamide
CID 60545815
methane;3-methyl-N-(3-methylbutan-2-yl)butanamide;3-methyl-N-propylbutanamide
CID 162025713
3-methyl-5-oxo-5-[[3-oxo-3-(propylamino)propyl]carbamoylamino]pentanoic acid
CID 62965171
N,N'-dipropyldecanediamide
CID 102239298
2-(3-methylbutan-2-ylamino)-N-propylacetamide
CID 43086366
3-(1,1-difluoropropan-2-ylamino)-N-propylpropanamide
CID 102869439
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
(2R)-3-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]butanoic acid
CID 92919705
2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 76927682
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
(4R)-4-amino-N-propylpentanamide
CID 146234117
4-methoxy-2-[[3-oxo-3-(propylamino)propyl]carbamoylamino]butanoic acid
CID 62473070

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide?
The IUPAC name of 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide (CID 60547146) is 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide?
The canonical SMILES for 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide is CCCNC(=O)CCNC(=O)NC(C)C(C)C.
What is the InChIKey of 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide?
The InChIKey is RYAJNCJPSYIRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-7-13-11(16)6-8-14-12(17)15-10(4)9(2)3/h9-10H,5-8H2,1-4H3,(H,13,16)(H2,14,15,17).
What are the key properties of 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide?
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide is sourced from PubChem (CID 60547146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).