N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide

C18H25NO3 — CID 7423508

IUPACN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H25NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20)/t16-/m0/s1
InChIKeyOMMYVDOEBRSPHR-INIZCTEOSA-N
MW303.40 g/mol
LogP2.81
Rot. Bonds5

About N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide

N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide (PubChem CID 7423508) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide
PubChem CID7423508
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C18H25NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20)/t16-/m0/s1
InChIKeyOMMYVDOEBRSPHR-INIZCTEOSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-thiophen-3-ylpropanamide
CID 94220216
2-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 18583785
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
(3S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51895158
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 97258866
2-[[N'-benzyl-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110036595
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7646088
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 16955838
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(2-fluorophenyl)oxamide
CID 7423731
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,6-dimethoxybenzamide
CID 41412095
4-chloro-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)benzamide
CID 18583938
4-[(1,4-dioxaspiro[4.6]undecan-3-ylmethylamino)methyl]benzoic acid
CID 122032455

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide?
The IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide (CID 7423508) is N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide?
The InChIKey is OMMYVDOEBRSPHR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-8,16H,2,5-6,9-14H2,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide?
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide has a molecular weight of 303.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 7423508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).