1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide

C27H52N2O4 — CID 66923691

IUPAC1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide
SMILESCCCC(O)(CCC)[C@@H](C(C)C)N(C(=O)C1(C(N)=O)CC1)[C@H](C(C)C)C(O)(CCC)CCC
InChIInChI=1S/C27H52N2O4/c1-9-13-26(32,14-10-2)21(19(5)6)29(24(31)25(17-18-25)23(28)30)22(20(7)8)27(33,15-11-3)16-12-4/h19-22,32-33H,9-18H2,1-8H3,(H2,28,30)/t21-,22-/m1/s1
InChIKeyLPXAKFTXTBETQZ-FGZHOGPDSA-N
MW468.72 g/mol
LogP4.79
Rot. Bonds16

About 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide

1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 66923691) has the molecular formula C27H52N2O4 and a molecular weight of 468.72 g/mol. Its IUPAC name is 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide
PubChem CID66923691
Molecular FormulaC27H52N2O4
Molecular Weight468.72 g/mol
Exact Mass468.39
IUPAC Name1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide
SMILESCCCC(O)(CCC)[C@@H](C(C)C)N(C(=O)C1(C(N)=O)CC1)[C@H](C(C)C)C(O)(CCC)CCC
InChIInChI=1S/C27H52N2O4/c1-9-13-26(32,14-10-2)21(19(5)6)29(24(31)25(17-18-25)23(28)30)22(20(7)8)27(33,15-11-3)16-12-4/h19-22,32-33H,9-18H2,1-8H3,(H2,28,30)/t21-,22-/m1/s1
InChIKeyLPXAKFTXTBETQZ-FGZHOGPDSA-N
XLogP4.79
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.72
LogP ≤ 54.79
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(4-ethyl-4-hydroxy-2-methylhexan-3-yl)cyclopropane-1,1-dicarboxamide
CID 77217665
1-N',1-N'-bis(2-benzyl-2-hydroxy-4-methyl-1-phenylpentan-3-yl)cyclopropane-1,1-dicarboxamide
CID 77217573
1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopropane-1,1-dicarboxamide
CID 77217546
1-N',1-N'-bis(2-benzyl-2-hydroxy-4-methyl-1-phenylpentan-3-yl)cyclopentane-1,1-dicarboxamide
CID 77217710
1-N',1-N'-bis(3-ethyl-3-hydroxypentan-2-yl)cyclopentane-1,1-dicarboxamide
CID 77217685
1-N',1-N'-bis[(1R)-2-hydroxy-1-phenyl-2-propylpentyl]cyclopentane-1,1-dicarboxamide
CID 66923656
1-N',1-N'-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]cyclopropane-1,1-dicarboxamide
CID 66923528
1-N',1-N'-bis(1-hydroxy-4-methyl-1,1-diphenylpentan-2-yl)cyclopropane-1,1-dicarboxamide
CID 77217558
1-N',1-N'-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923890
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-4-methyl-1,1-bis(4-methylphenyl)pentan-2-yl]cyclopentane-1,1-dicarboxamide
CID 66923743
1-N',1-N'-bis[(2R)-1-hydroxy-3,3-dimethyl-1,1-bis(4-methylphenyl)butan-2-yl]cyclobutane-1,1-dicarboxamide
CID 66923881

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide (CID 66923691) is 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide is CCCC(O)(CCC)[C@@H](C(C)C)N(C(=O)C1(C(N)=O)CC1)[C@H](C(C)C)C(O)(CCC)CCC.
What is the InChIKey of 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is LPXAKFTXTBETQZ-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H52N2O4/c1-9-13-26(32,14-10-2)21(19(5)6)29(24(31)25(17-18-25)23(28)30)22(20(7)8)27(33,15-11-3)16-12-4/h19-22,32-33H,9-18H2,1-8H3,(H2,28,30)/t21-,22-/m1/s1.
What are the key properties of 1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide?
1-N',1-N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 468.72 g/mol, XLogP of 4.79, 16 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[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 66923691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).