2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide

C32H27NO — CID 144638446

IUPAC2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1ccc([C@@H]2C[C@@H]2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H27NO/c34-32(21-27-10-5-9-24-7-3-4-11-30(24)27)33-29-16-14-25(15-17-29)31-20-28(31)19-22-12-13-23-6-1-2-8-26(23)18-22/h1-18,28,31H,19-21H2,(H,33,34)/t28-,31-/m0/s1
InChIKeyMXPGOOCTBOZVSY-IZEXYCQBSA-N
MW441.57 g/mol
LogP7.52
Rot. Bonds6

About 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide

2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide (PubChem CID 144638446) has the molecular formula C32H27NO and a molecular weight of 441.57 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide
PubChem CID144638446
Molecular FormulaC32H27NO
Molecular Weight441.57 g/mol
Exact Mass441.21
IUPAC Name2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1ccc([C@@H]2C[C@@H]2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C32H27NO/c34-32(21-27-10-5-9-24-7-3-4-11-30(24)27)33-29-16-14-25(15-17-29)31-20-28(31)19-22-12-13-23-6-1-2-8-26(23)18-22/h1-18,28,31H,19-21H2,(H,33,34)/t28-,31-/m0/s1
InChIKeyMXPGOOCTBOZVSY-IZEXYCQBSA-N
XLogP7.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
CID 90198032
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
CID 6461297
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-2-naphthalen-1-ylacetamide
CID 90204678
N-(4-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 16849660
N-(3,4-difluorophenyl)-2-naphthalen-1-ylacetamide
CID 7771712
2-naphthalen-1-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4844198

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide (CID 144638446) is 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide is O=C(Cc1cccc2ccccc12)Nc1ccc([C@@H]2C[C@@H]2Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide?
The InChIKey is MXPGOOCTBOZVSY-IZEXYCQBSA-N. The full InChI is InChI=1S/C32H27NO/c34-32(21-27-10-5-9-24-7-3-4-11-30(24)27)33-29-16-14-25(15-17-29)31-20-28(31)19-22-12-13-23-6-1-2-8-26(23)18-22/h1-18,28,31H,19-21H2,(H,33,34)/t28-,31-/m0/s1.
What are the key properties of 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide?
2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 441.57 g/mol, XLogP of 7.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[4-[(1R,2R)-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 144638446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).