N-(2-amino-2-oxoethyl)-N-propylbutanamide

C9H18N2O2 — CID 57237794

IUPACN-(2-amino-2-oxoethyl)-N-propylbutanamide
SMILESCCCC(=O)N(CCC)CC(N)=O
InChIInChI=1S/C9H18N2O2/c1-3-5-9(13)11(6-4-2)7-8(10)12/h3-7H2,1-2H3,(H2,10,12)
InChIKeyGSPHYZLECLGRNC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.51
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-propylbutanamide

N-(2-amino-2-oxoethyl)-N-propylbutanamide (PubChem CID 57237794) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-propylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-propylbutanamide
PubChem CID57237794
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-amino-2-oxoethyl)-N-propylbutanamide
SMILESCCCC(=O)N(CCC)CC(N)=O
InChIInChI=1S/C9H18N2O2/c1-3-5-9(13)11(6-4-2)7-8(10)12/h3-7H2,1-2H3,(H2,10,12)
InChIKeyGSPHYZLECLGRNC-UHFFFAOYSA-N
XLogP0.51
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-(2-oxopropyl)butanamide
CID 23592986
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
CID 119294872
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
CID 177356910
5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide
CID 167560323
tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
CID 106707268
2-[(2-amino-2-oxoethyl)-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]amino]acetic acid
CID 107438385
N-propylbutanehydrazide
CID 165487733
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N-(2-amino-2-oxoethyl)-2,2-dimethyl-N-propylhexanamide
CID 130279567
4-amino-N,N-dipropylbutanamide
CID 12835718
2-[butanoyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802903
N-(2-amino-2-oxoethyl)-N-ethyl-4-hydroxybutanamide
CID 103104212

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-propylbutanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-propylbutanamide (CID 57237794) is N-(2-amino-2-oxoethyl)-N-propylbutanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-propylbutanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-propylbutanamide is CCCC(=O)N(CCC)CC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-propylbutanamide?
The InChIKey is GSPHYZLECLGRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-5-9(13)11(6-4-2)7-8(10)12/h3-7H2,1-2H3,(H2,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-N-propylbutanamide?
N-(2-amino-2-oxoethyl)-N-propylbutanamide has a molecular weight of 186.25 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-propylbutanamide is sourced from PubChem (CID 57237794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).