(2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide

C15H27N3O4 — CID 124886388

IUPAC(2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide
SMILESC[C@H](NC(=O)NC[C@H]1COC2(CCCCC2)O1)C(=O)N(C)C
InChIInChI=1S/C15H27N3O4/c1-11(13(19)18(2)3)17-14(20)16-9-12-10-21-15(22-12)7-5-4-6-8-15/h11-12H,4-10H2,1-3H3,(H2,16,17,20)/t11-,12-/m0/s1
InChIKeyAJPJGDJIYDBCMU-RYUDHWBXSA-N
MW313.40 g/mol
LogP0.84
Rot. Bonds4

About (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide

(2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide (PubChem CID 124886388) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide
PubChem CID124886388
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name(2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide
SMILESC[C@H](NC(=O)NC[C@H]1COC2(CCCCC2)O1)C(=O)N(C)C
InChIInChI=1S/C15H27N3O4/c1-11(13(19)18(2)3)17-14(20)16-9-12-10-21-15(22-12)7-5-4-6-8-15/h11-12H,4-10H2,1-3H3,(H2,16,17,20)/t11-,12-/m0/s1
InChIKeyAJPJGDJIYDBCMU-RYUDHWBXSA-N
XLogP0.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide
CID 7647064
1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea
CID 84598749
1-(2,2-difluoroethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)urea
CID 75444525
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methylpropyl)oxamide
CID 18583869
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
3-[1,4-dioxaspiro[4.4]nonan-3-ylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 122008899
N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7646543
N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583979
N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-ethyloxamide
CID 7647063
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
CID 7645652
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
2-[[(1,4-dioxaspiro[4.5]decan-3-ylmethylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide (CID 124886388) is (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide is C[C@H](NC(=O)NC[C@H]1COC2(CCCCC2)O1)C(=O)N(C)C.
What is the InChIKey of (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide?
The InChIKey is AJPJGDJIYDBCMU-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-11(13(19)18(2)3)17-14(20)16-9-12-10-21-15(22-12)7-5-4-6-8-15/h11-12H,4-10H2,1-3H3,(H2,16,17,20)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide?
(2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methylcarbamoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 124886388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).