N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide

C19H27N3O3 — CID 125141651

IUPACN-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCCC23CCOCC3)c1
InChIInChI=1S/C19H27N3O3/c1-14(23)22(2)16-6-3-5-15(13-16)20-18(24)21-17-7-4-8-19(17)9-11-25-12-10-19/h3,5-6,13,17H,4,7-12H2,1-2H3,(H2,20,21,24)/t17-/m1/s1
InChIKeyLTYIVGUJJGPFRX-QGZVFWFLSA-N
MW345.44 g/mol
LogP3.14
Rot. Bonds3

About N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide

N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide (PubChem CID 125141651) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide
PubChem CID125141651
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCCC23CCOCC3)c1
InChIInChI=1S/C19H27N3O3/c1-14(23)22(2)16-6-3-5-15(13-16)20-18(24)21-17-7-4-8-19(17)9-11-25-12-10-19/h3,5-6,13,17H,4,7-12H2,1-2H3,(H2,20,21,24)/t17-/m1/s1
InChIKeyLTYIVGUJJGPFRX-QGZVFWFLSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)-3-(2,2-dimethylcyclopentyl)urea
CID 79832263
N-[3-[[(3R,4R)-4-hydroxypiperidin-3-yl]carbamoylamino]phenyl]-N-methylacetamide
CID 118791285
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622105
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
1-methyl-2-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82762976
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 118788732
2-[(3-bromophenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762508
1-[(4R)-8-oxaspiro[4.5]decan-4-yl]-3-(3-phenylpropyl)urea
CID 124874916
N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
CID 71984770
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
CID 120934367
1-(2-methoxyphenyl)-3-(7-oxaspiro[3.5]nonan-3-yl)urea
CID 122276523

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide (CID 125141651) is N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide is CC(=O)N(C)c1cccc(NC(=O)N[C@@H]2CCCC23CCOCC3)c1.
What is the InChIKey of N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide?
The InChIKey is LTYIVGUJJGPFRX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(23)22(2)16-6-3-5-15(13-16)20-18(24)21-17-7-4-8-19(17)9-11-25-12-10-19/h3,5-6,13,17H,4,7-12H2,1-2H3,(H2,20,21,24)/t17-/m1/s1.
What are the key properties of N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide?
N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[(4R)-8-oxaspiro[4.5]decan-4-yl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 125141651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).