2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide

C12H25N3O2 — CID 60722434

IUPAC2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
SMILESCCCCNC(=O)C(C)NC(C)C(=O)NCC
InChIInChI=1S/C12H25N3O2/c1-5-7-8-14-12(17)10(4)15-9(3)11(16)13-6-2/h9-10,15H,5-8H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyNERHBYWUCBINSC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds8

About 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide

2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide (PubChem CID 60722434) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
PubChem CID60722434
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
SMILESCCCCNC(=O)C(C)NC(C)C(=O)NCC
InChIInChI=1S/C12H25N3O2/c1-5-7-8-14-12(17)10(4)15-9(3)11(16)13-6-2/h9-10,15H,5-8H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyNERHBYWUCBINSC-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43467320
(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 129365438
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
N-ethyl-2-(4-hydroxybutan-2-ylamino)propanamide
CID 83177660
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
N-butyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106160696
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]hexanamide
CID 103831075
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
N-butyl-2-silylpropanamide
CID 123860399

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide (CID 60722434) is 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide is CCCCNC(=O)C(C)NC(C)C(=O)NCC.
What is the InChIKey of 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide?
The InChIKey is NERHBYWUCBINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-7-8-14-12(17)10(4)15-9(3)11(16)13-6-2/h9-10,15H,5-8H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide?
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide is sourced from PubChem (CID 60722434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).