N-[3-(2-oxopropylamino)propyl]propanamide

C9H18N2O2 — CID 71439535

IUPACN-[3-(2-oxopropylamino)propyl]propanamide
SMILESCCC(=O)NCCCNCC(C)=O
InChIInChI=1S/C9H18N2O2/c1-3-9(13)11-6-4-5-10-7-8(2)12/h10H,3-7H2,1-2H3,(H,11,13)
InChIKeyCBXNGRGWWQLLFE-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.08
Rot. Bonds7

About N-[3-(2-oxopropylamino)propyl]propanamide

N-[3-(2-oxopropylamino)propyl]propanamide (PubChem CID 71439535) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[3-(2-oxopropylamino)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-oxopropylamino)propyl]propanamide
PubChem CID71439535
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[3-(2-oxopropylamino)propyl]propanamide
SMILESCCC(=O)NCCCNCC(C)=O
InChIInChI=1S/C9H18N2O2/c1-3-9(13)11-6-4-5-10-7-8(2)12/h10H,3-7H2,1-2H3,(H,11,13)
InChIKeyCBXNGRGWWQLLFE-UHFFFAOYSA-N
XLogP0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxopropyl)propanamide
CID 23550155
N-(12-oxotridecyl)propanamide
CID 171540592
N-[3-(ethylamino)propyl]-3-oxobutanamide
CID 170655625
N-[5-[5-(propylamino)pentylamino]pentyl]propanamide
CID 58435562
N-pentyl-2-(pentylamino)acetamide
CID 109005932
1-(3-trimethylsilylpropylamino)propan-2-one
CID 175115112
N-(3-aminopropyl)propanamide
CID 21290277
ethane;methanethiol;N-nonylpropanamide
CID 177150000
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006
ethane;N-undecylpropanamide
CID 155706114
N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
N-(3-hydroperoxypropyl)propanamide
CID 59935072

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopropylamino)propyl]propanamide?
The IUPAC name of N-[3-(2-oxopropylamino)propyl]propanamide (CID 71439535) is N-[3-(2-oxopropylamino)propyl]propanamide.
What is the SMILES notation for N-[3-(2-oxopropylamino)propyl]propanamide?
The canonical SMILES for N-[3-(2-oxopropylamino)propyl]propanamide is CCC(=O)NCCCNCC(C)=O.
What is the InChIKey of N-[3-(2-oxopropylamino)propyl]propanamide?
The InChIKey is CBXNGRGWWQLLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-9(13)11-6-4-5-10-7-8(2)12/h10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-[3-(2-oxopropylamino)propyl]propanamide?
N-[3-(2-oxopropylamino)propyl]propanamide has a molecular weight of 186.25 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopropylamino)propyl]propanamide is sourced from PubChem (CID 71439535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).