N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide

C11H23N3O2 — CID 43420298

IUPACN-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
SMILESCCCCNC(=O)C(C)NCC(=O)NCC
InChIInChI=1S/C11H23N3O2/c1-4-6-7-13-11(16)9(3)14-8-10(15)12-5-2/h9,14H,4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyCUTNZKJRRUVDAO-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.02
Rot. Bonds8

About N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide

N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide (PubChem CID 43420298) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
PubChem CID43420298
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
SMILESCCCCNC(=O)C(C)NCC(=O)NCC
InChIInChI=1S/C11H23N3O2/c1-4-6-7-13-11(16)9(3)14-8-10(15)12-5-2/h9,14H,4-8H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyCUTNZKJRRUVDAO-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.02
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

N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
N-butyl-2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanamide
CID 112683886
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
N-butyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]propanamide
CID 43243844
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
CID 43420338
N-butyl-2-(1-methoxypropan-2-ylamino)acetamide
CID 60672222
butyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60681488
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
CID 103238421
N-butyl-3-(ethylamino)butanamide
CID 62838234
N-butyl-2-(2-methoxypropylamino)propanamide
CID 102698101
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide (CID 43420298) is N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide is CCCCNC(=O)C(C)NCC(=O)NCC.
What is the InChIKey of N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is CUTNZKJRRUVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-6-7-13-11(16)9(3)14-8-10(15)12-5-2/h9,14H,4-8H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide?
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 229.32 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43420298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).