2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide

C12H20N2O2 — CID 102671061

IUPAC2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC1CC(OCC)C1
InChIInChI=1S/C12H20N2O2/c1-4-6-13-12(15)9(3)14-10-7-11(8-10)16-5-2/h1,9-11,14H,5-8H2,2-3H3,(H,13,15)
InChIKeyGENFZDXEERTXLE-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.28
Rot. Bonds6

About 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide

2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide (PubChem CID 102671061) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide
PubChem CID102671061
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NC1CC(OCC)C1
InChIInChI=1S/C12H20N2O2/c1-4-6-13-12(15)9(3)14-10-7-11(8-10)16-5-2/h1,9-11,14H,5-8H2,2-3H3,(H,13,15)
InChIKeyGENFZDXEERTXLE-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-ethoxycyclobutyl)amino]-N-pentan-2-ylpropanamide
CID 102671072
2-[(1-methylpiperidin-4-yl)amino]-N-prop-2-ynylpropanamide
CID 43373498
N-prop-2-ynyl-2-(thiolan-3-ylamino)propanamide
CID 103062976
N-prop-2-ynyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propanamide
CID 79358552
2-[(3-methoxycyclobutyl)amino]-N-pentan-3-ylpropanamide
CID 104589297
2-(methoxyamino)-N-prop-2-ynylpropanamide
CID 60721257
N-(2,6-dimethylheptan-4-yl)-3-ethoxycyclobutan-1-amine
CID 114118763
2-[[(1S)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81395795
2-[[(1R)-1-cyclopentylethyl]amino]-N-prop-2-ynylpropanamide
CID 81388842
2-(2-ethoxypropylamino)-N-prop-2-ynylpropanamide
CID 115663958
2-[(3-ethoxycyclobutyl)amino]-N,N,4-trimethylpentanamide
CID 112554585
2-(3-aminocyclopentyl)oxy-N-prop-2-ynylpropanamide
CID 79464943

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide (CID 102671061) is 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NC1CC(OCC)C1.
What is the InChIKey of 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is GENFZDXEERTXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-6-13-12(15)9(3)14-10-7-11(8-10)16-5-2/h1,9-11,14H,5-8H2,2-3H3,(H,13,15).
What are the key properties of 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide?
2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 224.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycyclobutyl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 102671061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).