N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide

C14H21N3O3 — CID 166407965

IUPACN-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1CCCNC(=O)C12CC2
InChIInChI=1S/C14H21N3O3/c1-3-11(18)16(4-2)10-12(19)17-9-5-8-15-13(20)14(17)6-7-14/h3H,1,4-10H2,2H3,(H,15,20)
InChIKeyMPAMVGUAPPWYSQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.10
Rot. Bonds4

About N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide

N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide (PubChem CID 166407965) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide
PubChem CID166407965
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CC(=O)N1CCCNC(=O)C12CC2
InChIInChI=1S/C14H21N3O3/c1-3-11(18)16(4-2)10-12(19)17-9-5-8-15-13(20)14(17)6-7-14/h3H,1,4-10H2,2H3,(H,15,20)
InChIKeyMPAMVGUAPPWYSQ-UHFFFAOYSA-N
XLogP-0.10
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637914
1-acetyl-1,7-diazaspiro[4.4]nonan-6-one
CID 118104160
1-[3-(3,5-dimethylphenyl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 164699962
N-ethyl-N-(2-oxoethyl)prop-2-enamide
CID 90459922
tert-butyl 12-oxo-1,11-diazaspiro[5.6]dodecane-1-carboxylate
CID 139383963
1-(2-ethylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629640
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 156587130
1-[2-(3,4-dimethylphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163305769
2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)-ethylamino]acetic acid
CID 63607802
N-[2-[3-(3,3-dimethylazetidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-N-ethylprop-2-enamide
CID 166415899
1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163310700
N-ethyl-N-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethyl]prop-2-enamide
CID 166407904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide (CID 166407965) is N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide is C=CC(=O)N(CC)CC(=O)N1CCCNC(=O)C12CC2.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide?
The InChIKey is MPAMVGUAPPWYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-11(18)16(4-2)10-12(19)17-9-5-8-15-13(20)14(17)6-7-14/h3H,1,4-10H2,2H3,(H,15,20).
What are the key properties of N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide?
N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide has a molecular weight of 279.34 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(9-oxo-4,8-diazaspiro[2.6]nonan-4-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 166407965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).