N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide

C19H29N3O3 — CID 94805831

IUPACN,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
SMILESC[C@H]1CCC[C@@H](NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1
InChIInChI=1S/C19H29N3O3/c1-14-6-4-8-16(10-14)21-19(24)20-12-15-7-5-9-17(11-15)25-13-18(23)22(2)3/h5,7,9,11,14,16H,4,6,8,10,12-13H2,1-3H3,(H2,20,21,24)/t14-,16+/m0/s1
InChIKeyCRCSLWDLSTUOSB-GOEBONIOSA-N
MW347.46 g/mol
LogP2.53
Rot. Bonds6

About N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide

N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide (PubChem CID 94805831) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
PubChem CID94805831
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
SMILESC[C@H]1CCC[C@@H](NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1
InChIInChI=1S/C19H29N3O3/c1-14-6-4-8-16(10-14)21-19(24)20-12-15-7-5-9-17(11-15)25-13-18(23)22(2)3/h5,7,9,11,14,16H,4,6,8,10,12-13H2,1-3H3,(H2,20,21,24)/t14-,16+/m0/s1
InChIKeyCRCSLWDLSTUOSB-GOEBONIOSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[3-[[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide
CID 94805828
1-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119283211
1-[(4-methoxyphenyl)methyl]-3-(3-methylcyclohexyl)urea
CID 47172067
N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]piperidine-2-carboxamide
CID 119283191
1-[[3-[(2S)-butan-2-yl]oxyphenyl]methyl]-3-cyclobutylurea
CID 125437513
1-[(3-butan-2-yloxyphenyl)methyl]-3-cyclobutylurea
CID 122559038
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
CID 119283198
ethyl 4-[[N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111328920
2-[3-[[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 110985322
2-[3-[[[N-(4-cyclopentylbutyl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111609110
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
2-[3-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111738498

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide (CID 94805831) is N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide is C[C@H]1CCC[C@@H](NC(=O)NCc2cccc(OCC(=O)N(C)C)c2)C1.
What is the InChIKey of N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide?
The InChIKey is CRCSLWDLSTUOSB-GOEBONIOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-6-4-8-16(10-14)21-19(24)20-12-15-7-5-9-17(11-15)25-13-18(23)22(2)3/h5,7,9,11,14,16H,4,6,8,10,12-13H2,1-3H3,(H2,20,21,24)/t14-,16+/m0/s1.
What are the key properties of N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide?
N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide has a molecular weight of 347.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[[[(1R,3S)-3-methylcyclohexyl]carbamoylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 94805831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).