3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide

C12H25N3O2 — CID 60850956

IUPAC3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-13-11(17)9-14-10(16)6-8-15-12(2,3)4/h15H,5-9H2,1-4H3,(H,13,17)(H,14,16)
InChIKeyKRVGGPFQATYEGN-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds7

About 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide

3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 60850956) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID60850956
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-13-11(17)9-14-10(16)6-8-15-12(2,3)4/h15H,5-9H2,1-4H3,(H,13,17)(H,14,16)
InChIKeyKRVGGPFQATYEGN-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-propylacetamide
CID 28586578
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-propylpropanamide
CID 87037238
3-(tert-butylamino)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65106616
2-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61264989
N-propyl-2-(2,4,4-trimethylpentan-2-ylamino)acetamide
CID 60975442
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119508003
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
CID 62831395
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 60850956) is 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CNC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is KRVGGPFQATYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-7-13-11(17)9-14-10(16)6-8-15-12(2,3)4/h15H,5-9H2,1-4H3,(H,13,17)(H,14,16).
What are the key properties of 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide?
3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 60850956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).