N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide

C33H38N2O4 — CID 23140848

IUPACN,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC(c1cccc2ccccc12)C(C)(C)O)C(=O)NC(c1cccc2ccccc12)C(C)(C)O
InChIInChI=1S/C33H38N2O4/c1-31(2,29(36)34-27(32(3,4)38)25-19-11-15-21-13-7-9-17-23(21)25)30(37)35-28(33(5,6)39)26-20-12-16-22-14-8-10-18-24(22)26/h7-20,27-28,38-39H,1-6H3,(H,34,36)(H,35,37)
InChIKeyDOKTWBBYXZRZSG-UHFFFAOYSA-N
MW526.68 g/mol
LogP5.58
Rot. Bonds8

About N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide

N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide (PubChem CID 23140848) has the molecular formula C33H38N2O4 and a molecular weight of 526.68 g/mol. Its IUPAC name is N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
PubChem CID23140848
Molecular FormulaC33H38N2O4
Molecular Weight526.68 g/mol
Exact Mass526.28
IUPAC NameN,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC(c1cccc2ccccc12)C(C)(C)O)C(=O)NC(c1cccc2ccccc12)C(C)(C)O
InChIInChI=1S/C33H38N2O4/c1-31(2,29(36)34-27(32(3,4)38)25-19-11-15-21-13-7-9-17-23(21)25)30(37)35-28(33(5,6)39)26-20-12-16-22-14-8-10-18-24(22)26/h7-20,27-28,38-39H,1-6H3,(H,34,36)(H,35,37)
InChIKeyDOKTWBBYXZRZSG-UHFFFAOYSA-N
XLogP5.58
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 55.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
CID 23140906
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
2,2-diethyl-N,N'-bis[(1S)-2-hydroxy-2,2-bis(4-methylphenyl)-1-naphthalen-1-ylethyl]propanediamide
CID 66807835
N-ethyl-2,2-dimethyl-1-naphthalen-1-ylpropan-1-amine
CID 62716904
N,N'-bis[(1S)-2-hexyl-2-hydroxy-1-naphthalen-1-yloctyl]propanediamide
CID 67534057
N,N'-bis[(1R)-2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl]propanediamide
CID 69009990
1-amino-2-methyl-1-naphthalen-1-ylpropan-2-ol
CID 23091320
2,2-diethyl-N,N'-bis[(1S)-2-hydroxy-1-naphthalen-1-yl-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propyl]propanediamide
CID 87160809
(2R)-N-[(1R)-2,2-dimethyl-1-naphthalen-1-ylpropyl]-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 101097136
2,2,2-trichloro-N-(1-naphthalen-1-ylethyl)acetamide
CID 14511505
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide (CID 23140848) is N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide is CC(C)(C(=O)NC(c1cccc2ccccc12)C(C)(C)O)C(=O)NC(c1cccc2ccccc12)C(C)(C)O.
What is the InChIKey of N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide?
The InChIKey is DOKTWBBYXZRZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O4/c1-31(2,29(36)34-27(32(3,4)38)25-19-11-15-21-13-7-9-17-23(21)25)30(37)35-28(33(5,6)39)26-20-12-16-22-14-8-10-18-24(22)26/h7-20,27-28,38-39H,1-6H3,(H,34,36)(H,35,37).
What are the key properties of N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide?
N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide has a molecular weight of 526.68 g/mol, XLogP of 5.58, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 23140848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).