benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium

C24H26N3O2+ — CID 9445736

IUPACbenzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C24H25N3O2/c1-17-10-9-15-21(18(17)2)26-24(29)27-22(28)16-25-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-15,23,25H,16H2,1-2H3,(H2,26,27,28,29)/p+1
InChIKeyBECQKNDSQRUSLX-UHFFFAOYSA-O
MW388.49 g/mol
LogP3.30
Rot. Bonds6

About benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium

benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium (PubChem CID 9445736) has the molecular formula C24H26N3O2+ and a molecular weight of 388.49 g/mol. Its IUPAC name is benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
PubChem CID9445736
Molecular FormulaC24H26N3O2+
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Namebenzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium
SMILESCc1cccc(NC(=O)NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C24H25N3O2/c1-17-10-9-15-21(18(17)2)26-24(29)27-22(28)16-25-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-15,23,25H,16H2,1-2H3,(H2,26,27,28,29)/p+1
InChIKeyBECQKNDSQRUSLX-UHFFFAOYSA-O
XLogP3.30
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755693
benzhydryl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8545371
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897871
benzhydryl-[2-(tert-butylcarbamoylamino)-2-oxoethyl]azanium
CID 8000618
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391603
benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2534796
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
(2S,3R)-N-(2,3-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8714216
benzhydryl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]azanium
CID 8548634

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium?
The IUPAC name of benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium (CID 9445736) is benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium.
What is the SMILES notation for benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium?
The canonical SMILES for benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium is Cc1cccc(NC(=O)NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium?
The InChIKey is BECQKNDSQRUSLX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25N3O2/c1-17-10-9-15-21(18(17)2)26-24(29)27-22(28)16-25-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-15,23,25H,16H2,1-2H3,(H2,26,27,28,29)/p+1.
What are the key properties of benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium?
benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium has a molecular weight of 388.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9445736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).