N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide

C14H29N3O2 — CID 112685329

IUPACN,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
SMILESCCCC(C)NC(=O)CNCCC(=O)N(CC)CC
InChIInChI=1S/C14H29N3O2/c1-5-8-12(4)16-13(18)11-15-10-9-14(19)17(6-2)7-3/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyWEMDTQQOUJCEBJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.14
Rot. Bonds10

About N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide

N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide (PubChem CID 112685329) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
PubChem CID112685329
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
SMILESCCCC(C)NC(=O)CNCCC(=O)N(CC)CC
InChIInChI=1S/C14H29N3O2/c1-5-8-12(4)16-13(18)11-15-10-9-14(19)17(6-2)7-3/h12,15H,5-11H2,1-4H3,(H,16,18)
InChIKeyWEMDTQQOUJCEBJ-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide
CID 64911612
N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 79394119
2-(4-methoxybutylamino)-N-pentan-2-ylacetamide
CID 60976896
N-ethyl-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]acetamide
CID 60695403
N,N-diethyl-3-(hexan-2-ylamino)propanamide
CID 60926870
2-(2-morpholin-4-ylethylamino)-N-pentan-2-ylacetamide
CID 60687135
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
2-[2-(3-hydroxypropylsulfanyl)ethylamino]-N-pentan-2-ylacetamide
CID 114171847
N-pentan-2-ylundecanamide
CID 173258559
N,N-diethyl-3-(heptylamino)propanamide
CID 54936007
N,N-diethyl-2-(propylamino)acetamide
CID 15103931
2-(2,2-dimethylbutylamino)-N-pentan-2-ylacetamide
CID 103461265

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide (CID 112685329) is N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide is CCCC(C)NC(=O)CNCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is WEMDTQQOUJCEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-8-12(4)16-13(18)11-15-10-9-14(19)17(6-2)7-3/h12,15H,5-11H2,1-4H3,(H,16,18).
What are the key properties of N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide?
N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide has a molecular weight of 271.40 g/mol, XLogP of 1.14, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 112685329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).