benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium

C25H23N2O+ — CID 2534796

IUPACbenzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C25H22N2O/c28-24(27-23-17-9-15-19-10-7-8-16-22(19)23)18-26-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,25-26H,18H2,(H,27,28)/p+1
InChIKeyDSKLDSCRKRFHKC-UHFFFAOYSA-O
MW367.47 g/mol
LogP4.13
Rot. Bonds6

About benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium

benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (PubChem CID 2534796) has the molecular formula C25H23N2O+ and a molecular weight of 367.47 g/mol. Its IUPAC name is benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
PubChem CID2534796
Molecular FormulaC25H23N2O+
Molecular Weight367.47 g/mol
Exact Mass367.18
IUPAC Namebenzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C25H22N2O/c28-24(27-23-17-9-15-19-10-7-8-16-22(19)23)18-26-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,25-26H,18H2,(H,27,28)/p+1
InChIKeyDSKLDSCRKRFHKC-UHFFFAOYSA-O
XLogP4.13
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium
CID 2549153
(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
CID 851942
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
[2-(2,3-dichloroanilino)-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8696091
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 8755105
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
[2-(2-ethylanilino)-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051415
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
N-naphthalen-1-yl-2-pyridin-2-ylacetamide
CID 110468215

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (CID 2534796) is benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12.
What is the InChIKey of benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The InChIKey is DSKLDSCRKRFHKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H22N2O/c28-24(27-23-17-9-15-19-10-7-8-16-22(19)23)18-26-25(20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,25-26H,18H2,(H,27,28)/p+1.
What are the key properties of benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium has a molecular weight of 367.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 2534796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).