N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide

C31H26N2O — CID 90205307

IUPACN-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide
SMILESNC1(Cc2ccc3ccccc3c2)CC1c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C31H26N2O/c32-31(19-21-9-10-22-5-1-3-7-25(22)17-21)20-29(31)24-13-15-28(16-14-24)33-30(34)27-12-11-23-6-2-4-8-26(23)18-27/h1-18,29H,19-20,32H2,(H,33,34)
InChIKeyOFYONJAOUCRGNN-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.67
Rot. Bonds5

About N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide

N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide (PubChem CID 90205307) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide
PubChem CID90205307
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC NameN-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide
SMILESNC1(Cc2ccc3ccccc3c2)CC1c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C31H26N2O/c32-31(19-21-9-10-22-5-1-3-7-25(22)17-21)20-29(31)24-13-15-28(16-14-24)33-30(34)27-12-11-23-6-2-4-8-26(23)18-27/h1-18,29H,19-20,32H2,(H,33,34)
InChIKeyOFYONJAOUCRGNN-UHFFFAOYSA-N
XLogP6.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.67
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]benzamide;hydrochloride
CID 90198019
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide
CID 90204670
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-phenylacetamide;hydrochloride
CID 90198032
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-2-naphthalen-1-ylacetamide;hydrochloride
CID 118483780
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride
CID 90198033
benzyl N-[3-[2-[4-[(1S,2S)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]acetyl]phenyl]carbamate
CID 161463395
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
CID 19700500
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide (CID 90205307) is N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide is NC1(Cc2ccc3ccccc3c2)CC1c1ccc(NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is OFYONJAOUCRGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O/c32-31(19-21-9-10-22-5-1-3-7-25(22)17-21)20-29(31)24-13-15-28(16-14-24)33-30(34)27-12-11-23-6-2-4-8-26(23)18-27/h1-18,29H,19-20,32H2,(H,33,34).
What are the key properties of N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide?
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 6.67, 5 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]naphthalene-2-carboxamide is sourced from PubChem (CID 90205307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).