N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride

C28H27ClN2O — CID 90198032

IUPACN-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
SMILESCl.NC1(Cc2ccc3ccccc3c2)CC1c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C28H26N2O.ClH/c29-28(18-21-10-11-22-8-4-5-9-24(22)16-21)19-26(28)23-12-14-25(15-13-23)30-27(31)17-20-6-2-1-3-7-20;/h1-16,26H,17-19,29H2,(H,30,31);1H
InChIKeyKNSJALOKBBMGEE-UHFFFAOYSA-N
MW442.99 g/mol
LogP5.87
Rot. Bonds6

About N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride

N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride (PubChem CID 90198032) has the molecular formula C28H27ClN2O and a molecular weight of 442.99 g/mol. Its IUPAC name is N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
PubChem CID90198032
Molecular FormulaC28H27ClN2O
Molecular Weight442.99 g/mol
Exact Mass442.18
IUPAC NameN-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
SMILESCl.NC1(Cc2ccc3ccccc3c2)CC1c1ccc(NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C28H26N2O.ClH/c29-28(18-21-10-11-22-8-4-5-9-24(22)16-21)19-26(28)23-12-14-25(15-13-23)30-27(31)17-20-6-2-1-3-7-20;/h1-16,26H,17-19,29H2,(H,30,31);1H
InChIKeyKNSJALOKBBMGEE-UHFFFAOYSA-N
XLogP5.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.99
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 118483780
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90198019
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide
CID 90205307
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide
CID 90204670
benzyl N-[3-[2-[4-[(1S,2S)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetyl]phenyl]carbamate
CID 161463395
2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 90198033
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
CID 6461297
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide
CID 90204678
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide
CID 144638446

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride (CID 90198032) is N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride is Cl.NC1(Cc2ccc3ccccc3c2)CC1c1ccc(NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride?
The InChIKey is KNSJALOKBBMGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O.ClH/c29-28(18-21-10-11-22-8-4-5-9-24(22)16-21)19-26(28)23-12-14-25(15-13-23)30-27(31)17-20-6-2-1-3-7-20;/h1-16,26H,17-19,29H2,(H,30,31);1H.
What are the key properties of N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride?
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride has a molecular weight of 442.99 g/mol, XLogP of 5.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 90198032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).