N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C16H26N4O4 — CID 172835130

IUPACN-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC=CC(=O)N1COC2(CCN(C(=O)N(C)C(CC)C(N)=O)CC2)C1
InChIInChI=1S/C16H26N4O4/c1-4-12(14(17)22)18(3)15(23)19-8-6-16(7-9-19)10-20(11-24-16)13(21)5-2/h5,12H,2,4,6-11H2,1,3H3,(H2,17,22)
InChIKeyWAWCEZKPGJBSBJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.14
Rot. Bonds4

About N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 172835130) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID172835130
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC NameN-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESC=CC(=O)N1COC2(CCN(C(=O)N(C)C(CC)C(N)=O)CC2)C1
InChIInChI=1S/C16H26N4O4/c1-4-12(14(17)22)18(3)15(23)19-8-6-16(7-9-19)10-20(11-24-16)13(21)5-2/h5,12H,2,4,6-11H2,1,3H3,(H2,17,22)
InChIKeyWAWCEZKPGJBSBJ-UHFFFAOYSA-N
XLogP0.14
TPSA96.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 172835130) is N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is C=CC(=O)N1COC2(CCN(C(=O)N(C)C(CC)C(N)=O)CC2)C1.
What is the InChIKey of N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is WAWCEZKPGJBSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-4-12(14(17)22)18(3)15(23)19-8-6-16(7-9-19)10-20(11-24-16)13(21)5-2/h5,12H,2,4,6-11H2,1,3H3,(H2,17,22).
What are the key properties of N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxobutan-2-yl)-N-methyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 172835130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).