N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide

C33H34N2O4 — CID 66807724

IUPACN,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC(c1cccc2ccccc12)C1(O)CC1)C(=O)NC(c1cccc2ccccc12)C1(O)CC1
InChIInChI=1S/C33H34N2O4/c1-31(2,29(36)34-27(32(38)17-18-32)25-15-7-11-21-9-3-5-13-23(21)25)30(37)35-28(33(39)19-20-33)26-16-8-12-22-10-4-6-14-24(22)26/h3-16,27-28,38-39H,17-20H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyDHNWDFMFBJKYLT-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.08
Rot. Bonds8

About N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide

N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide (PubChem CID 66807724) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
PubChem CID66807724
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC NameN,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NC(c1cccc2ccccc12)C1(O)CC1)C(=O)NC(c1cccc2ccccc12)C1(O)CC1
InChIInChI=1S/C33H34N2O4/c1-31(2,29(36)34-27(32(38)17-18-32)25-15-7-11-21-9-3-5-13-23(21)25)30(37)35-28(33(39)19-20-33)26-16-8-12-22-10-4-6-14-24(22)26/h3-16,27-28,38-39H,17-20H2,1-2H3,(H,34,36)(H,35,37)
InChIKeyDHNWDFMFBJKYLT-UHFFFAOYSA-N
XLogP5.08
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.08
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[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 66807723
N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 141117170
1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 66807786
N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide
CID 66807872
N,N'-bis[(S)-(1-hydroxycyclobutyl)-naphthalen-1-ylmethyl]propanediamide
CID 66807728
1-N,1-N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]cyclopentane-1,1-dicarboxamide
CID 66807911
N,N'-bis(2-hydroxy-2-methyl-1-naphthalen-1-ylpropyl)-2,2-dimethylpropanediamide
CID 23140848
N,N'-bis(2-hydroxy-1-naphthalen-1-yl-2,2-diphenylethyl)-2,2-dimethylpropanediamide
CID 23140906
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
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
1-(aminomethyl)-N-(1-naphthalen-1-ylethyl)cyclopropane-1-carboxamide
CID 115453236

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide (CID 66807724) is N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NC(c1cccc2ccccc12)C1(O)CC1)C(=O)NC(c1cccc2ccccc12)C1(O)CC1.
What is the InChIKey of N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide?
The InChIKey is DHNWDFMFBJKYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4/c1-31(2,29(36)34-27(32(38)17-18-32)25-15-7-11-21-9-3-5-13-23(21)25)30(37)35-28(33(39)19-20-33)26-16-8-12-22-10-4-6-14-24(22)26/h3-16,27-28,38-39H,17-20H2,1-2H3,(H,34,36)(H,35,37).
What are the key properties of N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide?
N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide has a molecular weight of 522.65 g/mol, XLogP of 5.08, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 66807724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).