[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate

C23H23N3O3 — CID 91362734

IUPAC[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C23H23N3O3/c1-2-25-23(28)29-15-16-8-10-18(11-9-16)22(27)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,28)(H,26,27)
InChIKeyRGQPUGJZUQPGSE-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.43
Rot. Bonds6

About [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate

[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate (PubChem CID 91362734) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate.

Molecular Properties

Compound Name[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
PubChem CID91362734
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate
SMILESCCNC(=O)OCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C23H23N3O3/c1-2-25-23(28)29-15-16-8-10-18(11-9-16)22(27)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,28)(H,26,27)
InChIKeyRGQPUGJZUQPGSE-UHFFFAOYSA-N
XLogP4.43
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
N-(2-amino-5-phenylphenyl)-4-[[ethoxy(methyl)phosphoryl]methyl]benzamide
CID 25013304
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 68778186
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropylamino)methyl]benzamide
CID 25158263
N-(2-amino-5-phenylphenyl)-4-[(2-methylpropanoylamino)methyl]benzamide
CID 25156529
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl N-phenylcarbamate
CID 90890789
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
pyridin-3-ylmethyl N-[[4-[(2-amino-5-pyridin-4-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 59737468
N-(2-amino-5-phenylphenyl)-4-(3-oxo-4-phenylbutyl)benzamide
CID 59627328
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate?
The IUPAC name of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate (CID 91362734) is [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate.
What is the SMILES notation for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate?
The canonical SMILES for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate is CCNC(=O)OCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate?
The InChIKey is RGQPUGJZUQPGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-25-23(28)29-15-16-8-10-18(11-9-16)22(27)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,28)(H,26,27).
What are the key properties of [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate?
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate has a molecular weight of 389.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl N-ethylcarbamate is sourced from PubChem (CID 91362734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).