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

C27H32N2O4 — CID 66923872

IUPAC1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(N[C@H](c1ccccc1)C1(O)CCC1)C1(C(=O)N[C@H](c2ccccc2)C2(O)CCC2)CC1
InChIInChI=1S/C27H32N2O4/c30-23(28-21(26(32)13-7-14-26)19-9-3-1-4-10-19)25(17-18-25)24(31)29-22(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,(H,28,30)(H,29,31)/t21-,22-/m1/s1
InChIKeyPVFBPYNJQASETE-FGZHOGPDSA-N
MW448.56 g/mol
LogP3.31
Rot. Bonds8

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

1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 66923872) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
PubChem CID66923872
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(N[C@H](c1ccccc1)C1(O)CCC1)C1(C(=O)N[C@H](c2ccccc2)C2(O)CCC2)CC1
InChIInChI=1S/C27H32N2O4/c30-23(28-21(26(32)13-7-14-26)19-9-3-1-4-10-19)25(17-18-25)24(31)29-22(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,(H,28,30)(H,29,31)/t21-,22-/m1/s1
InChIKeyPVFBPYNJQASETE-FGZHOGPDSA-N
XLogP3.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.31
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
1-N,1-N'-bis[(S)-(1-hydroxycyclopropyl)-naphthalen-1-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 66807786
1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 66923873
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
1-N,1-N'-bis[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]cyclobutane-1,1-dicarboxamide
CID 66923306
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
N,N'-bis[(S)-(1-hydroxycyclobutyl)-naphthalen-1-ylmethyl]propanediamide
CID 66807728
2-methoxyethyl 4-amino-6-[[(S)-(1-hydroxycyclobutyl)-phenylmethyl]carbamoylamino]pyridine-3-carboximidate
CID 118373965

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide (CID 66923872) is 1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide is O=C(N[C@H](c1ccccc1)C1(O)CCC1)C1(C(=O)N[C@H](c2ccccc2)C2(O)CCC2)CC1.
What is the InChIKey of 1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is PVFBPYNJQASETE-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H32N2O4/c30-23(28-21(26(32)13-7-14-26)19-9-3-1-4-10-19)25(17-18-25)24(31)29-22(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,(H,28,30)(H,29,31)/t21-,22-/m1/s1.
What are the key properties of 1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide?
1-N,1-N'-bis[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 448.56 g/mol, XLogP of 3.31, 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[(R)-(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66923872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).