N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide

C11H23N3O2 — CID 62831395

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-5-12-7-6-9(15)13-8-10(16)14-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyAVPROSMEJNKCQG-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.02
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide (PubChem CID 62831395) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
PubChem CID62831395
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O2/c1-5-12-7-6-9(15)13-8-10(16)14-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyAVPROSMEJNKCQG-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 115356094
N-tert-butyl-3-(2-hydroxyethylamino)propanamide
CID 112688508
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119508003
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
N-tert-butyl-3-(2-ethylbutylamino)propanamide
CID 115756724
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide
CID 141056869
3-(tert-butylamino)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 60850956
N-tert-butyl-2-(diethylcarbamoylamino)acetamide
CID 115575873

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide (CID 62831395) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide?
The InChIKey is AVPROSMEJNKCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-12-7-6-9(15)13-8-10(16)14-11(2,3)4/h12H,5-8H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide has a molecular weight of 229.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62831395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).