3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride

C9H20ClN3O2 — CID 119294872

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
SMILESCCCCN(CC(N)=O)C(=O)CCN.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-2-3-6-12(7-8(11)13)9(14)4-5-10;/h2-7,10H2,1H3,(H2,11,13);1H
InChIKeyNOXWHMGAXHQFBF-UHFFFAOYSA-N
MW237.73 g/mol
LogP-0.13
Rot. Bonds7

About 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride

3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride (PubChem CID 119294872) has the molecular formula C9H20ClN3O2 and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
PubChem CID119294872
Molecular FormulaC9H20ClN3O2
Molecular Weight237.73 g/mol
Exact Mass237.12
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride
SMILESCCCCN(CC(N)=O)C(=O)CCN.Cl
InChIInChI=1S/C9H19N3O2.ClH/c1-2-3-6-12(7-8(11)13)9(14)4-5-10;/h2-7,10H2,1H3,(H2,11,13);1H
InChIKeyNOXWHMGAXHQFBF-UHFFFAOYSA-N
XLogP-0.13
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(2-amino-2-oxoethyl)-N-propylbutanamide
CID 57237794
tert-butyl 4-[(2-amino-2-oxoethyl)-butylamino]-4-oxobutanoate
CID 106707268
N-(2-amino-2-oxoethyl)-N-(2-hydroxyethyl)octanamide
CID 177356910
5-amino-N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-[(Z)-octadec-9-enyl]amino]-2-oxoethyl]-N-dodecylpentanamide
CID 167696245
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
N-(2-aminoethyl)-N-butylheptanamide
CID 114754100
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237
methyl N-[2-[(2-amino-2-oxoethyl)-butylamino]-2-oxoethyl]carbamate
CID 47307690
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
N-(2-aminoethyl)-N-(2-oxopropyl)butanamide
CID 23592986

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride (CID 119294872) is 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride is CCCCN(CC(N)=O)C(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride?
The InChIKey is NOXWHMGAXHQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2.ClH/c1-2-3-6-12(7-8(11)13)9(14)4-5-10;/h2-7,10H2,1H3,(H2,11,13);1H.
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride?
3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-butylpropanamide;hydrochloride is sourced from PubChem (CID 119294872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).