N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide

C22H28N2O3 — CID 141117170

IUPACN'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(N)=O)C(=O)N[C@H](c1cccc2ccccc12)C1(O)CCCCC1
InChIInChI=1S/C22H28N2O3/c1-21(2,19(23)25)20(26)24-18(22(27)13-6-3-7-14-22)17-12-8-10-15-9-4-5-11-16(15)17/h4-5,8-12,18,27H,3,6-7,13-14H2,1-2H3,(H2,23,25)(H,24,26)/t18-/m1/s1
InChIKeyNWHOMWCJIRFLJE-GOSISDBHSA-N
MW368.48 g/mol
LogP3.20
Rot. Bonds5

About N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide

N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide (PubChem CID 141117170) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
PubChem CID141117170
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(N)=O)C(=O)N[C@H](c1cccc2ccccc12)C1(O)CCCCC1
InChIInChI=1S/C22H28N2O3/c1-21(2,19(23)25)20(26)24-18(22(27)13-6-3-7-14-22)17-12-8-10-15-9-4-5-11-16(15)17/h4-5,8-12,18,27H,3,6-7,13-14H2,1-2H3,(H2,23,25)(H,24,26)/t18-/m1/s1
InChIKeyNWHOMWCJIRFLJE-GOSISDBHSA-N
XLogP3.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807723
N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807724
N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide
CID 66807872
1-N,1-N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]cyclopentane-1,1-dicarboxamide
CID 66807911
N,N'-bis[(S)-(1-hydroxycyclobutyl)-naphthalen-1-ylmethyl]propanediamide
CID 66807728
1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 66807786
1-[(R)-amino(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 66807782
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
CID 23140848
N,N'-bis[(1R)-1-(1-hydroxycyclohexyl)-2-phenylethyl]-2,2-dimethylpropanediamide
CID 69006898
1-N,1-N'-bis[(1S)-2-ethyl-2-hydroxy-1-naphthalen-1-ylbutyl]cyclohexane-1,1-dicarboxamide
CID 66807731
N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
CID 23140906

Frequently Asked Questions

What is the IUPAC name of N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide (CID 141117170) is N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide is CC(C)(C(N)=O)C(=O)N[C@H](c1cccc2ccccc12)C1(O)CCCCC1.
What is the InChIKey of N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide?
The InChIKey is NWHOMWCJIRFLJE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-21(2,19(23)25)20(26)24-18(22(27)13-6-3-7-14-22)17-12-8-10-15-9-4-5-11-16(15)17/h4-5,8-12,18,27H,3,6-7,13-14H2,1-2H3,(H2,23,25)(H,24,26)/t18-/m1/s1.
What are the key properties of N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide?
N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide has a molecular weight of 368.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 141117170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).