N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide

C15H25N3O6 — CID 145028362

IUPACN-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide
SMILESCC(=O)COCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(C)=O
InChIInChI=1S/C15H25N3O6/c1-8(19)6-24-7-13(21)16-10(3)14(22)18-11(4)15(23)17-9(2)12(5)20/h9-11H,6-7H2,1-5H3,(H,16,21)(H,17,23)(H,18,22)
InChIKeyQRLNOKAPQCHOOC-UHFFFAOYSA-N
MW343.38 g/mol
LogP-1.30
Rot. Bonds10

About N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide

N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide (PubChem CID 145028362) has the molecular formula C15H25N3O6 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide
PubChem CID145028362
Molecular FormulaC15H25N3O6
Molecular Weight343.38 g/mol
Exact Mass343.17
IUPAC NameN-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide
SMILESCC(=O)COCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(C)=O
InChIInChI=1S/C15H25N3O6/c1-8(19)6-24-7-13(21)16-10(3)14(22)18-11(4)15(23)17-9(2)12(5)20/h9-11H,6-7H2,1-5H3,(H,16,21)(H,17,23)(H,18,22)
InChIKeyQRLNOKAPQCHOOC-UHFFFAOYSA-N
XLogP-1.30
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide with MolForge

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Related Compounds

2-[2-[[1-[[1-[[1-[2-[(2-aminooxyacetyl)amino]ethylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]acetic acid
CID 146240259
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
N-(3-oxobutan-2-yl)propanamide
CID 22943760
(2R)-2-[[(2R)-2-[[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]propanoyl]amino]propanamide
CID 118895063
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
2-[[2-(2-aminoethoxy)acetyl]amino]-N-methylpropanamide
CID 79478783
N-methyl-2-[2-(2-oxopropoxy)ethoxy]acetamide
CID 59773137
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
methyl 4-oxo-4-(3-oxobutan-2-ylamino)butanoate
CID 167666613
N-[1-[[1-(3-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-oxohexanamide
CID 121265243
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 134608659

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide?
The IUPAC name of N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide (CID 145028362) is N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide?
The canonical SMILES for N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide is CC(=O)COCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(C)=O.
What is the InChIKey of N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide?
The InChIKey is QRLNOKAPQCHOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O6/c1-8(19)6-24-7-13(21)16-10(3)14(22)18-11(4)15(23)17-9(2)12(5)20/h9-11H,6-7H2,1-5H3,(H,16,21)(H,17,23)(H,18,22).
What are the key properties of N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide?
N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide has a molecular weight of 343.38 g/mol, XLogP of -1.30, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]propanamide is sourced from PubChem (CID 145028362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).