1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide

C27H32N2O4 — CID 66923873

IUPAC1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(C(c2ccccc2)C2(O)CCC2)C(c2ccccc2)C2(O)CCC2)CC1
InChIInChI=1S/C27H32N2O4/c28-23(30)25(17-18-25)24(31)29(21(26(32)13-7-14-26)19-9-3-1-4-10-19)22(27(33)15-8-16-27)20-11-5-2-6-12-20/h1-6,9-12,21-22,32-33H,7-8,13-18H2,(H2,28,30)
InChIKeyFBAWOSZJRUEHDH-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.39
Rot. Bonds8

About 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide

1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 66923873) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
PubChem CID66923873
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(C(c2ccccc2)C2(O)CCC2)C(c2ccccc2)C2(O)CCC2)CC1
InChIInChI=1S/C27H32N2O4/c28-23(30)25(17-18-25)24(31)29(21(26(32)13-7-14-26)19-9-3-1-4-10-19)22(27(33)15-8-16-27)20-11-5-2-6-12-20/h1-6,9-12,21-22,32-33H,7-8,13-18H2,(H2,28,30)
InChIKeyFBAWOSZJRUEHDH-UHFFFAOYSA-N
XLogP3.39
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.39
H-Bond Donors ≤ 53
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[1-(1-hydroxycyclobutyl)-2-phenylethyl]cyclopentane-1,1-dicarboxamide
CID 77217431
1-N',1-N'-bis[(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopentane-1,1-dicarboxamide
CID 66807886
1-N',1-N'-bis[(1R)-2-hydroxy-2,2-bis(4-methylphenyl)-1-phenylethyl]cyclobutane-1,1-dicarboxamide
CID 66923542
1-N',1-N'-bis[(1R)-2-benzyl-2-hydroxy-1,3-diphenylpropyl]cyclopropane-1,1-dicarboxamide
CID 66923549
1-N',1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclohexane-1,1-dicarboxamide
CID 66923989
1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923768
1-N',1-N'-bis(2-benzyl-2-hydroxy-1,3-diphenylpropyl)cyclohexane-1,1-dicarboxamide
CID 77217436
1-N',1-N'-bis[(1R)-2-hydroxy-1-phenyl-2-propylpentyl]cyclopentane-1,1-dicarboxamide
CID 66923656
1-N',1-N'-bis[1-(1-hydroxycyclobutyl)ethyl]cyclohexane-1,1-dicarboxamide
CID 77217600
1-N',1-N'-bis[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923383
1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 66923872
1-N',1-N'-bis(3-hydroxy-3-methyl-1-phenylbutan-2-yl)cyclopropane-1,1-dicarboxamide
CID 77217664

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide (CID 66923873) is 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N(C(c2ccccc2)C2(O)CCC2)C(c2ccccc2)C2(O)CCC2)CC1.
What is the InChIKey of 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is FBAWOSZJRUEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c28-23(30)25(17-18-25)24(31)29(21(26(32)13-7-14-26)19-9-3-1-4-10-19)22(27(33)15-8-16-27)20-11-5-2-6-12-20/h1-6,9-12,21-22,32-33H,7-8,13-18H2,(H2,28,30).
What are the key properties of 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 448.56 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66923873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).