trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide

C28H30N2O — CID 118727607

IUPACtrans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
SMILESNC1(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccc(-c3ccccc3)cc2)CCCC1
InChIInChI=1S/C28H30N2O/c29-28(17-7-8-18-28)20-30(27(31)26-19-25(26)23-11-5-2-6-12-23)24-15-13-22(14-16-24)21-9-3-1-4-10-21/h1-6,9-16,25-26H,7-8,17-20,29H2/t25-,26+/m0/s1
InChIKeyVUASRBBKSZIXHO-IZZNHLLZSA-N
MW410.56 g/mol
LogP5.76
Rot. Bonds6

About trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 118727607) has the molecular formula C28H30N2O and a molecular weight of 410.56 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID118727607
Molecular FormulaC28H30N2O
Molecular Weight410.56 g/mol
Exact Mass410.24
IUPAC Nametrans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide
SMILESNC1(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccc(-c3ccccc3)cc2)CCCC1
InChIInChI=1S/C28H30N2O/c29-28(17-7-8-18-28)20-30(27(31)26-19-25(26)23-11-5-2-6-12-23)24-15-13-22(14-16-24)21-9-3-1-4-10-21/h1-6,9-16,25-26H,7-8,17-20,29H2/t25-,26+/m0/s1
InChIKeyVUASRBBKSZIXHO-IZZNHLLZSA-N
XLogP5.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 26873419
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CID 252606
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CID 25107518
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CID 9908450
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CID 10200425
CID 10200425
CID 10862359
CID 10862359
CID 10905508
CID 10905508
CID 10938664
CID 10938664
CID 10971179
CID 10971179
CID 11811557
CID 11811557
CID 9997232
CID 9997232
CID 1961208
CID 1961208

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide (CID 118727607) is trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide is NC1(CN(C(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccc(-c3ccccc3)cc2)CCCC1.
What is the InChIKey of trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is VUASRBBKSZIXHO-IZZNHLLZSA-N. The full InChI is InChI=1S/C28H30N2O/c29-28(17-7-8-18-28)20-30(27(31)26-19-25(26)23-11-5-2-6-12-23)24-15-13-22(14-16-24)21-9-3-1-4-10-21/h1-6,9-16,25-26H,7-8,17-20,29H2/t25-,26+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1-aminocyclopentyl)methyl]-2-phenyl-N-(4-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 118727607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).