N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride

C32H29ClN2O — CID 118483780

IUPACN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCl.N[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C32H28N2O.ClH/c33-32(20-22-12-13-23-6-1-2-8-26(23)18-22)21-30(32)25-14-16-28(17-15-25)34-31(35)19-27-10-5-9-24-7-3-4-11-29(24)27;/h1-18,30H,19-21,33H2,(H,34,35);1H/t30-,32-;/m0./s1
InChIKeyMNHSPLGCIUJHNQ-YSUZTSSVSA-N
MW493.05 g/mol
LogP7.02
Rot. Bonds6

About N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride

N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride (PubChem CID 118483780) has the molecular formula C32H29ClN2O and a molecular weight of 493.05 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
PubChem CID118483780
Molecular FormulaC32H29ClN2O
Molecular Weight493.05 g/mol
Exact Mass492.20
IUPAC NameN-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
SMILESCl.N[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C32H28N2O.ClH/c33-32(20-22-12-13-23-6-1-2-8-26(23)18-22)21-30(32)25-14-16-28(17-15-25)34-31(35)19-27-10-5-9-24-7-3-4-11-29(24)27;/h1-18,30H,19-21,33H2,(H,34,35);1H/t30-,32-;/m0./s1
InChIKeyMNHSPLGCIUJHNQ-YSUZTSSVSA-N
XLogP7.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The IUPAC name of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride (CID 118483780) is N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride is Cl.N[C@@]1(Cc2ccc3ccccc3c2)C[C@H]1c1ccc(NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride?
The InChIKey is MNHSPLGCIUJHNQ-YSUZTSSVSA-N. The full InChI is InChI=1S/C32H28N2O.ClH/c33-32(20-22-12-13-23-6-1-2-8-26(23)18-22)21-30(32)25-14-16-28(17-15-25)34-31(35)19-27-10-5-9-24-7-3-4-11-29(24)27;/h1-18,30H,19-21,33H2,(H,34,35);1H/t30-,32-;/m0./s1.
What are the key properties of N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride?
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride has a molecular weight of 493.05 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride is sourced from PubChem (CID 118483780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).