N-(3-amino-3-oxopropyl)butanamide

C7H14N2O2 — CID 23086917

IUPACN-(3-amino-3-oxopropyl)butanamide
SMILESCCCC(=O)NCCC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-7(11)9-5-4-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKeyCSDYHBWRDRYIRW-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.22
Rot. Bonds5

About N-(3-amino-3-oxopropyl)butanamide

N-(3-amino-3-oxopropyl)butanamide (PubChem CID 23086917) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)butanamide
PubChem CID23086917
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-(3-amino-3-oxopropyl)butanamide
SMILESCCCC(=O)NCCC(N)=O
InChIInChI=1S/C7H14N2O2/c1-2-3-7(11)9-5-4-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11)
InChIKeyCSDYHBWRDRYIRW-UHFFFAOYSA-N
XLogP-0.22
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 122356
N8-Acetylspermidine
CID 123689
N1-Acetylspermidine
CID 496
N1,N12-Diacetylspermine
CID 132680
N-butylbutanamide
CID 347960
N-acetylputrescinium
CID 25243990
3-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 9816969
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N-Ethyl-3-oxobutanamide
CID 24988
N-(3-aminopropyl)acetamide
CID 13793967
3-Amino-N-methylpropanamide
CID 14889074
N-methyl-3-(methylamino)propanamide
CID 12548977

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)butanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)butanamide (CID 23086917) is N-(3-amino-3-oxopropyl)butanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)butanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)butanamide is CCCC(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)butanamide?
The InChIKey is CSDYHBWRDRYIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-3-7(11)9-5-4-6(8)10/h2-5H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of N-(3-amino-3-oxopropyl)butanamide?
N-(3-amino-3-oxopropyl)butanamide has a molecular weight of 158.20 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)butanamide is sourced from PubChem (CID 23086917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).