N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide

C15H29N3O3 — CID 121263921

IUPACN-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)NCC(=O)NCCC(C)C)C(=O)CC
InChIInChI=1S/C15H29N3O3/c1-5-9-18(15(21)6-2)11-14(20)17-10-13(19)16-8-7-12(3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyFRYCTDYZZHPHQE-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.91
Rot. Bonds10

About N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide

N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide (PubChem CID 121263921) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide
PubChem CID121263921
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC NameN-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)NCC(=O)NCCC(C)C)C(=O)CC
InChIInChI=1S/C15H29N3O3/c1-5-9-18(15(21)6-2)11-14(20)17-10-13(19)16-8-7-12(3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyFRYCTDYZZHPHQE-UHFFFAOYSA-N
XLogP0.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
CID 121263348
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
3-methyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylbutanamide
CID 5087039
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
2-[bis(2-hydroxyethyl)amino]-N-(3-methylbutyl)acetamide
CID 60686353
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]-N-propylacetamide
CID 170012060
2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741253
2-(3-methylbutylamino)-N-propylacetamide
CID 28576469
N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 54957153
3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide
CID 81087093

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide (CID 121263921) is N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide is CCCN(CC(=O)NCC(=O)NCCC(C)C)C(=O)CC.
What is the InChIKey of N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide?
The InChIKey is FRYCTDYZZHPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-9-18(15(21)6-2)11-14(20)17-10-13(19)16-8-7-12(3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide?
N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide has a molecular weight of 299.41 g/mol, XLogP of 0.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 121263921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).