2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

C20H30N2O3 — CID 60505073

IUPAC2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESCC(C)N(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1
InChIInChI=1S/C20H30N2O3/c1-16(2)22(14-17-6-4-3-5-7-17)15-19(23)21-18-8-10-20(11-9-18)24-12-13-25-20/h3-7,16,18H,8-15H2,1-2H3,(H,21,23)
InChIKeyWXDYLFYKFWNVFZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.70
Rot. Bonds6

About 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 60505073) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
PubChem CID60505073
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESCC(C)N(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1
InChIInChI=1S/C20H30N2O3/c1-16(2)22(14-17-6-4-3-5-7-17)15-19(23)21-18-8-10-20(11-9-18)24-12-13-25-20/h3-7,16,18H,8-15H2,1-2H3,(H,21,23)
InChIKeyWXDYLFYKFWNVFZ-UHFFFAOYSA-N
XLogP2.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500114
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60509333
2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60508609
N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233
2-[benzyl(propan-2-yl)amino]-N-(cyclohexylmethyl)acetamide
CID 55437170
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
CID 47541039
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[propyl-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 95172614
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
2-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 87017401
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 60512921
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N-propan-2-ylacetamide
CID 43567769
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 51120174

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (CID 60505073) is 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is CC(C)N(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is WXDYLFYKFWNVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16(2)22(14-17-6-4-3-5-7-17)15-19(23)21-18-8-10-20(11-9-18)24-12-13-25-20/h3-7,16,18H,8-15H2,1-2H3,(H,21,23).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 60505073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).