1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide

C33H32N2O4 — CID 66807786

IUPAC1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(N[C@@H](c1cccc2ccccc12)C1(O)CC1)C1(C(=O)N[C@@H](c2cccc3ccccc23)C2(O)CC2)CC1
InChIInChI=1S/C33H32N2O4/c36-29(34-27(32(38)17-18-32)25-13-5-9-21-7-1-3-11-23(21)25)31(15-16-31)30(37)35-28(33(39)19-20-33)26-14-6-10-22-8-2-4-12-24(22)26/h1-14,27-28,38-39H,15-20H2,(H,34,36)(H,35,37)/t27-,28-/m0/s1
InChIKeyMSNMAXPLWLIWNA-NSOVKSMOSA-N
MW520.63 g/mol
LogP4.84
Rot. Bonds8

About 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide

1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 66807786) has the molecular formula C33H32N2O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide
PubChem CID66807786
Molecular FormulaC33H32N2O4
Molecular Weight520.63 g/mol
Exact Mass520.24
IUPAC Name1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(N[C@@H](c1cccc2ccccc12)C1(O)CC1)C1(C(=O)N[C@@H](c2cccc3ccccc23)C2(O)CC2)CC1
InChIInChI=1S/C33H32N2O4/c36-29(34-27(32(38)17-18-32)25-13-5-9-21-7-1-3-11-23(21)25)31(15-16-31)30(37)35-28(33(39)19-20-33)26-14-6-10-22-8-2-4-12-24(22)26/h1-14,27-28,38-39H,15-20H2,(H,34,36)(H,35,37)/t27-,28-/m0/s1
InChIKeyMSNMAXPLWLIWNA-NSOVKSMOSA-N
XLogP4.84
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 54.84
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

1-N,1-N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]cyclopentane-1,1-dicarboxamide
CID 66807911
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-hydroxycyclobutyl)-naphthalen-1-ylmethyl]propanediamide
CID 66807728
N,N'-bis[(S)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dipropylpropanediamide
CID 66807872
N'-[(R)-(1-hydroxycyclohexyl)-naphthalen-1-ylmethyl]-2,2-dimethylpropanediamide
CID 141117170
1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 66923872
1-N,1-N'-bis[(1S)-2-benzyl-2-hydroxy-1-naphthalen-1-yl-3-phenylpropyl]cyclobutane-1,1-dicarboxamide
CID 66807870
1-N,1-N'-bis[(1S)-2-ethyl-2-hydroxy-1-naphthalen-1-ylbutyl]cyclohexane-1,1-dicarboxamide
CID 66807731
1-N,1-N'-bis[(1S)-2-hydroxy-1-naphthalen-1-yl-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propyl]cyclobutane-1,1-dicarboxamide
CID 87160894
1-N,1-N'-bis[(1S)-2-hydroxy-3-(4-methylphenyl)-2-[(4-methylphenyl)methyl]-1-naphthalen-1-ylpropyl]cyclohexane-1,1-dicarboxamide
CID 87160823
1-N',1-N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopentane-1,1-dicarboxamide
CID 66807886

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide (CID 66807786) is 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide is O=C(N[C@@H](c1cccc2ccccc12)C1(O)CC1)C1(C(=O)N[C@@H](c2cccc3ccccc23)C2(O)CC2)CC1.
What is the InChIKey of 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is MSNMAXPLWLIWNA-NSOVKSMOSA-N. The full InChI is InChI=1S/C33H32N2O4/c36-29(34-27(32(38)17-18-32)25-13-5-9-21-7-1-3-11-23(21)25)31(15-16-31)30(37)35-28(33(39)19-20-33)26-14-6-10-22-8-2-4-12-24(22)26/h1-14,27-28,38-39H,15-20H2,(H,34,36)(H,35,37)/t27-,28-/m0/s1.
What are the key properties of 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide?
1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 520.63 g/mol, XLogP of 4.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66807786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).