2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

C19H27ClN2O3 — CID 60508609

IUPAC2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESCCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1Cl
InChIInChI=1S/C19H27ClN2O3/c1-2-22(13-15-5-3-4-6-17(15)20)14-18(23)21-16-7-9-19(10-8-16)24-11-12-25-19/h3-6,16H,2,7-14H2,1H3,(H,21,23)
InChIKeyZZGMBJYJWNQSLP-UHFFFAOYSA-N
MW366.89 g/mol
LogP2.96
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide

2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (PubChem CID 60508609) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
PubChem CID60508609
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
SMILESCCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1Cl
InChIInChI=1S/C19H27ClN2O3/c1-2-22(13-15-5-3-4-6-17(15)20)14-18(23)21-16-7-9-19(10-8-16)24-11-12-25-19/h3-6,16H,2,7-14H2,1H3,(H,21,23)
InChIKeyZZGMBJYJWNQSLP-UHFFFAOYSA-N
XLogP2.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60509333
(3R)-3-[[2-[(2-chlorophenyl)methyl-ethylamino]acetyl]amino]pyrrolidine-1-carboxamide
CID 100755826
2-[benzyl(propan-2-yl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 60505073
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
CID 112729526
2-[(2-chlorophenyl)methyl-ethylamino]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55852266
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-[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-[cyclopentyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 87017401
N-cyclopropyl-2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]acetamide
CID 79120233
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86918903

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide (CID 60508609) is 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is CCN(CC(=O)NC1CCC2(CC1)OCCO2)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
The InChIKey is ZZGMBJYJWNQSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-2-22(13-15-5-3-4-6-17(15)20)14-18(23)21-16-7-9-19(10-8-16)24-11-12-25-19/h3-6,16H,2,7-14H2,1H3,(H,21,23).
What are the key properties of 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide?
2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide has a molecular weight of 366.89 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-ethylamino]-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide is sourced from PubChem (CID 60508609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).